 Entering Gaussian System, Link 0=g16
 Input=01_S_methyloxirane_STD_M11-augccpVDZr.in
 Output=01_S_methyloxirane_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/01_S_methyloxirane_STD/Gau-94784.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/01_S_methyloxirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     94786.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                10-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=01_S_methyloxirane_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 10 01:37:34 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "01_S_methyloxirane_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.037946000000      0.616050000000     -0.060586000000
  C                                                 0.152167000000     -0.036181000000      0.486338000000
  O                                                -0.827309000000     -0.787855000000     -0.240257000000
  H                                                -0.946334000000      1.214879000000     -0.962405000000
  H                                                -1.863621000000      0.880906000000      0.593045000000
  H                                                 0.153731000000     -0.252078000000      1.553032000000
  C                                                 1.505323000000      0.097870000000     -0.148585000000
  H                                                 1.410483000000      0.321151000000     -1.211784000000
  H                                                 2.073470000000     -0.828389000000     -0.041354000000
  H                                                 2.073478000000      0.899940000000      0.328527000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     10 NQM=       10 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          16           1           1           1          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           0           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sat Jul 10 01:37:34 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.463181   0.000000
     3  O    1.430943   1.432595   0.000000
     4  H    1.086401   2.206969   2.132278   0.000000
     5  H    1.085874   2.217169   2.133799   1.836404   0.000000
     6  H    2.185750   1.088324   2.113145   3.112801   2.504982
     7  C    2.597012   1.500709   2.496815   2.814362   3.537364
     8  H    2.721585   2.143517   2.679827   2.532889   3.780276
     9  H    3.430406   2.144168   2.907873   3.760651   4.338760
    10  H    3.148486   2.143050   3.403929   3.299236   3.946021
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.201083   0.000000
     8  H    3.090667   1.090523   0.000000
     9  H    2.561171   1.091900   1.769435   0.000000
    10  H    2.551859   1.092590   1.774012   1.767465   0.000000
 Stoichiometry    C3H6O
 Framework group  C1[X(C3H6O)]
 Deg. of freedom    24
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.36D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
 Rotational constants (GHZ):          18.2186332           6.6800760           5.9518073
 Leave Link  202 at Sat Jul 10 01:37:34 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       4      5      6      8      9     10
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  12 primitive shells out of 160 were deleted.
 There are   154 symmetry adapted cartesian basis functions of A   symmetry.
 There are   146 symmetry adapted basis functions of A   symmetry.
   146 basis functions,   260 primitive gaussians,   154 cartesian basis functions
    16 alpha electrons       16 beta electrons
       nuclear repulsion energy       124.8385457136 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   10 NActive=   10 NUniq=   10 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sat Jul 10 01:37:36 2021, MaxMem=  6442450944 cpu:              10.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   146 RedAO= T EigKep=  3.61D-05  NBF=   146
 NBsUse=   146 1.00D-06 EigRej= -1.00D+00 NBFU=   146
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   154   154   154   154   154 MxSgAt=    10 MxSgA2=    10.
 Leave Link  302 at Sat Jul 10 01:37:36 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 10 01:37:36 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "01_S_methyloxirane_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 10 01:37:36 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=123007818.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  10731 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6327235570 LenY=  6327211413
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -193.017416595365    
 DIIS: error= 3.21D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -193.017416595365     IErMin= 1 ErrMin= 3.21D-03
 ErrMax= 3.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.00D-03 BMatP= 5.00D-03
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.21D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.503 Goal=   None    Shift=    0.000
 GapD=    0.503 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.03D-02 MaxDP=2.68D-01              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -193.022342026941     Delta-E=       -0.004925431576 Rises=F Damp=F
 DIIS: error= 1.07D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -193.022342026941     IErMin= 2 ErrMin= 1.07D-03
 ErrMax= 1.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-04 BMatP= 5.00D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.07D-02
 Coeff-Com:  0.613D-01 0.939D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.607D-01 0.939D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.45D-03 MaxDP=4.25D-02 DE=-4.93D-03 OVMax= 7.76D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -193.022428237016     Delta-E=       -0.000086210075 Rises=F Damp=F
 DIIS: error= 1.35D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -193.022428237016     IErMin= 2 ErrMin= 1.07D-03
 ErrMax= 1.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-04 BMatP= 4.04D-04
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.35D-02
 Coeff-Com: -0.532D-01 0.517D+00 0.536D+00
 Coeff-En:   0.000D+00 0.418D+00 0.582D+00
 Coeff:     -0.525D-01 0.516D+00 0.537D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=3.83D-04 MaxDP=1.04D-02 DE=-8.62D-05 OVMax= 3.70D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -193.022718637401     Delta-E=       -0.000290400385 Rises=F Damp=F
 DIIS: error= 9.63D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -193.022718637401     IErMin= 4 ErrMin= 9.63D-05
 ErrMax= 9.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-06 BMatP= 4.04D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.540D-02-0.201D-01 0.538D-01 0.972D+00
 Coeff:     -0.540D-02-0.201D-01 0.538D-01 0.972D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.20D-04 MaxDP=2.47D-03 DE=-2.90D-04 OVMax= 9.18D-04

 Cycle   5  Pass 1  IDiag  1:
 E= -193.022723072582     Delta-E=       -0.000004435181 Rises=F Damp=F
 DIIS: error= 3.07D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -193.022723072582     IErMin= 5 ErrMin= 3.07D-05
 ErrMax= 3.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-07 BMatP= 3.53D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.232D-02-0.409D-01-0.271D-01 0.237D+00 0.829D+00
 Coeff:      0.232D-02-0.409D-01-0.271D-01 0.237D+00 0.829D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=2.83D-05 MaxDP=6.47D-04 DE=-4.44D-06 OVMax= 2.37D-04

 Cycle   6  Pass 1  IDiag  1:
 E= -193.022723479186     Delta-E=       -0.000000406603 Rises=F Damp=F
 DIIS: error= 6.76D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -193.022723479186     IErMin= 6 ErrMin= 6.76D-06
 ErrMax= 6.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-08 BMatP= 3.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.863D-03-0.530D-02-0.102D-01-0.261D-01 0.145D+00 0.896D+00
 Coeff:      0.863D-03-0.530D-02-0.102D-01-0.261D-01 0.145D+00 0.896D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=6.16D-06 MaxDP=1.31D-04 DE=-4.07D-07 OVMax= 8.68D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -193.022723512379     Delta-E=       -0.000000033193 Rises=F Damp=F
 DIIS: error= 1.62D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -193.022723512379     IErMin= 7 ErrMin= 1.62D-06
 ErrMax= 1.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-09 BMatP= 1.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.852D-04 0.242D-02 0.114D-02-0.202D-01-0.514D-01 0.811D-01
 Coeff-Com:  0.987D+00
 Coeff:     -0.852D-04 0.242D-02 0.114D-02-0.202D-01-0.514D-01 0.811D-01
 Coeff:      0.987D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=2.36D-06 MaxDP=5.97D-05 DE=-3.32D-08 OVMax= 3.02D-05

 Cycle   8  Pass 1  IDiag  1:
 E= -193.022723514972     Delta-E=       -0.000000002593 Rises=F Damp=F
 DIIS: error= 6.14D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -193.022723514972     IErMin= 8 ErrMin= 6.14D-07
 ErrMax= 6.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-10 BMatP= 1.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.651D-04 0.846D-03 0.921D-03-0.318D-02-0.218D-01-0.364D-01
 Coeff-Com:  0.245D+00 0.815D+00
 Coeff:     -0.651D-04 0.846D-03 0.921D-03-0.318D-02-0.218D-01-0.364D-01
 Coeff:      0.245D+00 0.815D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=4.60D-07 MaxDP=8.18D-06 DE=-2.59D-09 OVMax= 6.81D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -193.022723515159     Delta-E=       -0.000000000187 Rises=F Damp=F
 DIIS: error= 1.50D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -193.022723515159     IErMin= 9 ErrMin= 1.50D-07
 ErrMax= 1.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-11 BMatP= 1.26D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-04-0.207D-04 0.155D-03 0.151D-02-0.590D-03-0.200D-01
 Coeff-Com: -0.431D-01 0.228D+00 0.834D+00
 Coeff:     -0.101D-04-0.207D-04 0.155D-03 0.151D-02-0.590D-03-0.200D-01
 Coeff:     -0.431D-01 0.228D+00 0.834D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.75D-07 MaxDP=3.60D-06 DE=-1.87D-10 OVMax= 2.34D-06

 Cycle  10  Pass 1  IDiag  1:
 E= -193.022723515181     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 3.98D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -193.022723515181     IErMin=10 ErrMin= 3.98D-08
 ErrMax= 3.98D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.71D-13 BMatP= 1.45D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.391D-05-0.608D-04-0.594D-04 0.377D-03 0.143D-02 0.118D-02
 Coeff-Com: -0.215D-01-0.387D-01 0.456D-01 0.101D+01
 Coeff:      0.391D-05-0.608D-04-0.594D-04 0.377D-03 0.143D-02 0.118D-02
 Coeff:     -0.215D-01-0.387D-01 0.456D-01 0.101D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=4.39D-08 MaxDP=1.05D-06 DE=-2.17D-11 OVMax= 7.16D-07

 Cycle  11  Pass 1  IDiag  1:
 E= -193.022723515177     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 1.02D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -193.022723515181     IErMin=11 ErrMin= 1.02D-08
 ErrMax= 1.02D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.23D-14 BMatP= 4.71D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-05-0.107D-04-0.214D-04-0.868D-05 0.280D-03 0.122D-02
 Coeff-Com: -0.181D-02-0.171D-01-0.323D-01 0.183D+00 0.867D+00
 Coeff:      0.132D-05-0.107D-04-0.214D-04-0.868D-05 0.280D-03 0.122D-02
 Coeff:     -0.181D-02-0.171D-01-0.323D-01 0.183D+00 0.867D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=9.02D-09 MaxDP=1.69D-07 DE= 3.64D-12 OVMax= 1.31D-07

 SCF Done:  E(RM11) =  -193.022723515     A.U. after   11 cycles
            NFock= 11  Conv=0.90D-08     -V/T= 2.0071
 KE= 1.916608948104D+02 PE=-6.996249327678D+02 EE= 1.901027687287D+02
 Leave Link  502 at Sat Jul 10 01:37:48 2021, MaxMem=  6442450944 cpu:              84.7 elap:              11.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   146
 NBasis=   146 NAE=    16 NBE=    16 NFC=     0 NFV=     0
 NROrb=    146 NOA=    16 NOB=    16 NVA=   130 NVB=   130

 **** Warning!!: The largest alpha MO coefficient is  0.44266512D+02

 Leave Link  801 at Sat Jul 10 01:37:48 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3093 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=240191881.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  10731 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.47D-14 8.33D-09 XBig12= 1.00D+00 3.43D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.47D-14 8.33D-09 XBig12= 1.96D-01 6.35D-02.
     11 vectors produced by pass  2 Test12= 3.47D-14 8.33D-09 XBig12= 2.26D-02 2.55D-02.
     11 vectors produced by pass  3 Test12= 3.47D-14 8.33D-09 XBig12= 1.10D-03 6.82D-03.
     11 vectors produced by pass  4 Test12= 3.47D-14 8.33D-09 XBig12= 2.23D-05 8.95D-04.
     11 vectors produced by pass  5 Test12= 3.47D-14 8.33D-09 XBig12= 4.63D-07 9.86D-05.
     11 vectors produced by pass  6 Test12= 3.47D-14 8.33D-09 XBig12= 8.13D-09 1.82D-05.
     11 vectors produced by pass  7 Test12= 3.47D-14 8.33D-09 XBig12= 1.11D-10 1.68D-06.
     10 vectors produced by pass  8 Test12= 3.47D-14 8.33D-09 XBig12= 1.25D-12 1.88D-07.
      4 vectors produced by pass  9 Test12= 3.47D-14 8.33D-09 XBig12= 1.51D-14 2.03D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-15
 Solved reduced A of dimension   102 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.476632D+02
      2 -0.252040D+01  0.392316D+02
      3  0.872901D+00 -0.690494D+00  0.390126D+02
 Isotropic polarizability for W=    0.085645       41.97 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.238244D+02 -0.227042D+00  0.308865D+01
      2  -0.140619D+02  0.507995D+01 -0.732907D+01
      3  -0.976254D+01 -0.485291D+01  0.424041D+01
      4   0.178357D+02  0.777869D+01 -0.118362D+01
      5   0.479587D+01  0.168356D+00  0.136574D+02
      6  -0.192002D+01 -0.474499D+01  0.140559D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.761143D+00  0.826973D+00 -0.616501D+01
      2  -0.427175D+01  0.778534D+00  0.727667D+01
      3   0.376438D+01 -0.657478D+01 -0.142794D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.135198D+01  0.258407D+01 -0.189088D+02
      2  -0.170721D+01  0.736395D+00  0.234200D+02
      3   0.180627D+02 -0.218406D+02 -0.208837D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.132909D-01  0.970803D+00  0.494395D+00
      2   0.970803D+00 -0.149301D+00  0.219512D-01
      3   0.494395D+00  0.219512D-01  0.247745D+00
 OR G Eigenvalues:    -1.1204     0.1448     1.0873  Iso=    -0.0372
 Eigenvectors:
   (1)   0.689549  -0.683947  -0.238201
   (2)  -0.160594  -0.465106   0.870567
   (3)   0.706210   0.562044   0.430551
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0372 au.
 Molar Mass =     58.0798 grams/mole, [Alpha] ( 5320.0 A) =      -30.41 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   10731 ScalPx= 2.43D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   10731 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.17D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.78D-15 2.78D-09 XBig12= 1.00D+00 4.22D-01.
     30 vectors produced by pass  1 Test12= 5.78D-15 2.78D-09 XBig12= 2.03D-02 3.05D-02.
     30 vectors produced by pass  2 Test12= 5.78D-15 2.78D-09 XBig12= 4.15D-04 2.67D-03.
     30 vectors produced by pass  3 Test12= 5.78D-15 2.78D-09 XBig12= 3.17D-06 3.19D-04.
     30 vectors produced by pass  4 Test12= 5.78D-15 2.78D-09 XBig12= 2.71D-08 2.77D-05.
     30 vectors produced by pass  5 Test12= 5.78D-15 2.78D-09 XBig12= 2.12D-10 1.78D-06.
     30 vectors produced by pass  6 Test12= 5.78D-15 2.78D-09 XBig12= 1.05D-12 1.13D-07.
     20 vectors produced by pass  7 Test12= 5.78D-15 2.78D-09 XBig12= 5.02D-15 6.89D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-15
 Solved reduced A of dimension   230 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   10731 ScalPx= 7.24D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   10731 ScalPx= 7.24D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   10731 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.56D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.476632D+02 -0.252040D+01  0.872901D+00
      2  -0.252040D+01  0.392316D+02 -0.690494D+00
      3   0.872901D+00 -0.690494D+00  0.390126D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.761143D+00  0.826973D+00 -0.616501D+01
      2  -0.427175D+01  0.778534D+00  0.727667D+01
      3   0.376438D+01 -0.657478D+01 -0.142794D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.238244D+02 -0.227042D+00  0.308865D+01
      2  -0.140619D+02  0.507995D+01 -0.732907D+01
      3  -0.976254D+01 -0.485291D+01  0.424041D+01
      4   0.178357D+02  0.777869D+01 -0.118362D+01
      5   0.479587D+01  0.168356D+00  0.136574D+02
      6  -0.192002D+01 -0.474499D+01  0.140559D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393529D+01  0.127854D+01 -0.437154D+01 -0.435781D+00 -0.101622D+01
      2   0.127854D+01 -0.525748D+00  0.192790D+01 -0.101622D+01  0.495128D+01
      3  -0.437154D+01  0.192790D+01 -0.211523D+00  0.973066D+00  0.235210D+01
                 6             7             8             9            10 
      1   0.973066D+00 -0.653568D+01  0.207722D+01  0.442787D+00  0.653268D+01
      2   0.235210D+01  0.207722D+01  0.226766D+01 -0.255512D+01 -0.120732D+01
      3  -0.271505D+01  0.442787D+00 -0.255512D+01  0.157910D+01  0.339579D+01
                11            12            13            14            15 
      1  -0.120732D+01  0.339579D+01 -0.171696D+01  0.464115D+01  0.373163D+00
      2   0.243895D+01  0.156197D+00  0.464115D+01 -0.528028D+00  0.132520D+01
      3   0.156197D+00 -0.302635D+00  0.373163D+00  0.132520D+01  0.123329D+01
                16            17            18            19            20 
      1   0.450390D+01  0.701867D+00  0.798670D+00 -0.391444D+01 -0.370582D+01
      2   0.701867D+00  0.994009D+00  0.200651D+01 -0.370582D+01 -0.745779D+00
      3   0.798670D+00  0.200651D+01 -0.770227D+01 -0.127868D+01 -0.355161D+00
                21            22            23            24            25 
      1  -0.127868D+01 -0.155199D+01 -0.276594D+01 -0.738619D+00 -0.163806D+01
      2  -0.355161D+00 -0.276594D+01 -0.877144D+01 -0.187223D+01 -0.124704D+01
      3   0.357740D+00 -0.738619D+00 -0.187223D+01 -0.299663D+00 -0.139074D+01
                26            27            28            29            30 
      1  -0.124704D+01 -0.139074D+01 -0.318409D+00  0.995454D+00 -0.351556D+00
      2  -0.135680D+01 -0.232836D+01  0.995454D+00 -0.282975D-01 -0.473667D+00
      3  -0.232836D+01 -0.118889D+01 -0.351556D+00 -0.473667D+00  0.333427D+00
                31            32            33            34            35 
      1   0.135846D+01 -0.770948D+00  0.377986D+00 -0.996988D+00  0.297917D+00
      2  -0.770948D+00  0.350931D+01 -0.282465D+01  0.297917D+00 -0.328406D+01
      3   0.377986D+00 -0.282465D+01  0.279566D+01 -0.795309D+00  0.317830D+01
                36            37            38            39            40 
      1  -0.795309D+00 -0.679734D+01  0.224044D+01  0.281228D+01  0.200371D+01
      2   0.317830D+01  0.224044D+01 -0.191536D+01 -0.956167D+00 -0.191052D+01
      3  -0.521995D+01  0.281228D+01 -0.956167D+00 -0.220816D+01 -0.682708D+00
                41            42            43            44            45 
      1  -0.191052D+01 -0.682708D+00  0.424446D+01 -0.133149D+01 -0.259654D+01
      2   0.138424D+01  0.552808D+00 -0.133149D+01  0.839193D+00  0.152641D+01
      3   0.552808D+00  0.954374D+00 -0.259654D+01  0.152641D+01  0.263356D+01
                46            47            48            49            50 
      1   0.789393D+00 -0.137557D+00  0.125609D+01 -0.168732D+00 -0.372790D+00
      2  -0.137557D+00 -0.138496D+00 -0.473649D-01 -0.372790D+00 -0.728964D+00
      3   0.125609D+01 -0.473649D-01  0.255141D+00 -0.355707D-01  0.121390D+01
                51            52            53            54            55 
      1  -0.355707D-01  0.157223D+01 -0.207558D+00  0.433992D+00 -0.159623D+01
      2   0.121390D+01 -0.207558D+00  0.132407D+01 -0.155624D+01  0.900660D+00
      3  -0.150088D+01  0.433992D+00 -0.155624D+01  0.105167D+02 -0.255742D+01
                56            57            58            59            60 
      1   0.900660D+00 -0.255742D+01  0.124037D+01 -0.606122D+01 -0.134574D+01
      2  -0.499851D+01 -0.116504D+01 -0.606122D+01  0.151060D+01 -0.172635D+01
      3  -0.116504D+01  0.626013D+00 -0.134574D+01 -0.172635D+01 -0.252914D+01
                61            62            63            64            65 
      1  -0.276081D+01 -0.122209D+01 -0.355562D+00 -0.126810D-01  0.140491D+00
      2  -0.122209D+01 -0.198221D+01 -0.227400D+01  0.140491D+00  0.412859D+00
      3  -0.355562D+00 -0.227400D+01  0.642190D+01 -0.708545D+00  0.152453D+00
                66            67            68            69            70 
      1  -0.708545D+00  0.357893D+00  0.848206D+00 -0.754067D-01 -0.185926D+01
      2   0.152453D+00  0.848206D+00  0.499630D+00 -0.978302D+00 -0.676235D-01
      3  -0.447487D+00 -0.754067D-01 -0.978302D+00  0.128194D+01  0.110348D+01
                71            72            73            74            75 
      1  -0.676235D-01  0.110348D+01  0.468714D+01 -0.269032D+01  0.406305D+00
      2  -0.131124D+01  0.120954D+01 -0.269032D+01  0.306499D+01 -0.739009D-02
      3   0.120954D+01 -0.814613D+01  0.406305D+00 -0.739009D-02  0.634378D+00
                76            77            78            79            80 
      1  -0.452368D+01  0.404467D+01  0.151665D+00  0.959541D+00 -0.761087D-01
      2   0.404467D+01 -0.591690D+01  0.409080D+00 -0.761087D-01  0.686637D+00
      3   0.151665D+00  0.409080D+00 -0.101321D+01  0.964113D+00 -0.751276D+00
                81            82            83            84            85 
      1   0.964113D+00  0.456517D+01  0.218543D+01  0.139728D+01  0.343670D+01
      2  -0.751276D+00  0.218543D+01  0.243540D+01  0.768238D+00  0.336362D+01
      3  -0.302065D+00  0.139728D+01  0.768238D+00  0.963102D+00  0.100217D+01
                86            87            88            89            90 
      1   0.336362D+01  0.100217D+01  0.251066D+01  0.107491D+01  0.139510D+01
      2   0.409026D+01  0.154844D+01  0.107491D+01  0.182274D+01  0.154424D+01
      3   0.154844D+01  0.179266D+01  0.139510D+01  0.154424D+01  0.140803D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.637037D+01 -0.242610D+01 -0.129809D+00 -0.237763D+01 -0.119076D+01
      2   0.689772D+01 -0.397848D+01  0.220076D+01 -0.227775D+01 -0.214901D+01
      3   0.903052D+00 -0.415706D+01 -0.124537D+01  0.124635D+01  0.294993D+01
                 6             7             8             9            10 
      1   0.192034D+01 -0.322349D+01  0.570033D+01 -0.199818D+01 -0.235968D+01
      2   0.413833D+01 -0.224871D+01  0.457329D+01 -0.127448D+00 -0.264663D+01
      3   0.441211D+01 -0.354465D+01  0.461220D+01 -0.268354D+01  0.108863D+01
                11            12            13            14            15 
      1   0.237277D+01 -0.278884D+00  0.241407D+01 -0.456656D+00 -0.241157D+01
      2   0.109020D+01 -0.137987D+01  0.161452D+01 -0.195947D+01 -0.270313D+00
      3  -0.199219D+01  0.403684D+00  0.596059D+01  0.688483D+00 -0.190835D+00
                16            17            18            19            20 
      1   0.763996D+00  0.624871D+00  0.176529D+01 -0.167910D+01 -0.709366D+00
      2  -0.901590D+01  0.586186D+00 -0.462219D+01  0.174917D+01  0.123384D+01
      3   0.127560D+01 -0.113375D+01 -0.390676D+00  0.152409D+01 -0.278991D+01
                21            22            23            24            25 
      1  -0.244043D+01 -0.113716D+01  0.227473D+01 -0.778414D+01 -0.122334D+01
      2   0.432937D+01 -0.125823D+01  0.247967D+01  0.235299D+01 -0.268683D+01
      3   0.268184D+00  0.793294D+01 -0.926847D+01 -0.160012D+01  0.249567D+01
                26            27            28            29            30 
      1   0.283914D+01 -0.222416D+01  0.142700D+00  0.605535D+00 -0.359356D+00
      2   0.188671D+01  0.212103D+01  0.977240D+00  0.450838D+00  0.133650D+00
      3  -0.878658D+00 -0.465684D+00  0.115770D+01  0.242248D+00 -0.644654D+00
                31            32            33            34            35 
      1  -0.333637D+00  0.786183D+00 -0.353250D+01  0.400022D+00 -0.361494D+00
      2   0.765320D+00  0.344030D+01 -0.343367D+01 -0.189191D+01 -0.380164D+01
      3   0.188971D+01  0.401302D+01 -0.303131D+01 -0.166627D+01 -0.377660D+01
                36            37            38            39            40 
      1   0.592637D+01 -0.296197D+01 -0.333341D+00  0.278921D+01  0.506461D+00
      2   0.634751D+01 -0.227580D+01  0.118052D+01  0.476773D+01  0.612618D+00
      3   0.388611D+01 -0.326756D+01 -0.285956D+01  0.120642D+01  0.257140D+00
                41            42            43            44            45 
      1  -0.349084D+00 -0.169122D+01  0.269871D+01 -0.271089D+00 -0.307259D+01
      2  -0.904326D+00 -0.197181D+01  0.132341D+01 -0.182586D+01 -0.426377D+01
      3   0.926633D+00  0.285486D+00  0.239617D+01  0.839861D+00 -0.430505D+00
                46            47            48            49            50 
      1   0.849586D-02  0.123044D+00  0.568262D+00 -0.399685D+00 -0.965821D+00
      2  -0.917204D-01 -0.153631D-01  0.793609D-01  0.775568D+00  0.880687D+00
      3   0.602156D-01 -0.962606D+00  0.611229D-01  0.900077D+00 -0.873077D-01
                51            52            53            54            55 
      1   0.411402D+00 -0.417363D-01  0.427394D+01 -0.109643D+01  0.539971D+00
      2  -0.305736D+00 -0.434109D+01 -0.160868D+00  0.268576D+01 -0.508449D+01
      3  -0.331045D+00 -0.649152D+00 -0.273808D+00 -0.177707D+00 -0.112709D+01
                56            57            58            59            60 
      1   0.107425D+01  0.693264D-01  0.200570D+01 -0.193543D+00 -0.841250D+00
      2  -0.170851D+01  0.286508D+01 -0.226587D+01 -0.403485D+01 -0.438921D+01
      3   0.706171D+01  0.194048D+01  0.141840D+02 -0.350415D+01  0.275025D+01
                61            62            63            64            65 
      1  -0.182318D+00  0.276914D+01  0.327898D+00  0.473820D-01  0.169262D+00
      2  -0.435780D+01 -0.390749D+01  0.972613D+01 -0.182550D+01  0.172001D+00
      3   0.137266D+01  0.321753D+01  0.412439D+01 -0.372352D+00 -0.112601D+01
                66            67            68            69            70 
      1  -0.582533D-01  0.408806D-01 -0.378547D+00 -0.874144D+00 -0.225811D+00
      2   0.527409D+00  0.491369D+00 -0.134260D+01  0.258011D+01 -0.175184D+01
      3  -0.340381D+00 -0.154375D+00 -0.655077D+00  0.162151D+01 -0.578253D+00
                71            72            73            74            75 
      1   0.280242D+01  0.914229D+00  0.501116D+00 -0.678793D+00  0.837892D+00
      2   0.247268D+01 -0.142844D+02  0.661055D+00 -0.336346D+00  0.270556D+01
      3   0.242658D+01 -0.234928D+01  0.434521D+01 -0.717885D+01  0.112731D-01
                76            77            78            79            80 
      1  -0.670146D+00  0.107767D+01 -0.225859D+01  0.256300D+00  0.675959D+00
      2   0.168904D+00  0.969114D+00 -0.296614D+01  0.562993D+00 -0.109946D+01
      3  -0.475088D+01  0.112256D+02 -0.769639D+00 -0.216701D+00 -0.129033D+01
                81            82            83            84            85 
      1   0.107890D+00 -0.609275D+00 -0.197264D+00 -0.997957D+00 -0.484764D+00
      2  -0.622998D+00  0.207487D+01  0.156676D+01  0.327731D+01  0.137354D+01
      3   0.926656D+00 -0.305322D+01 -0.585223D+01 -0.131711D+01 -0.363503D+01
                86            87            88            89            90 
      1  -0.259620D+00 -0.244468D+01 -0.481009D+00  0.561252D+00 -0.993977D+00
      2   0.262047D+01  0.426544D+01  0.577149D+00  0.253662D+01  0.260771D+01
      3  -0.754883D+01 -0.271370D+01 -0.885079D+00 -0.374302D+01 -0.243977D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.136157D+00  0.213564D+00  0.990525D+01  0.720436D+01  0.686771D+00
      2   0.134681D+01 -0.182299D+00 -0.542056D+01 -0.651366D+01  0.461274D+01
      3  -0.148297D+01 -0.312650D-01 -0.448469D+01 -0.690696D+00 -0.529951D+01
      4   0.171718D+01 -0.809052D+00 -0.903515D+01 -0.172706D+01 -0.618767D+01
      5   0.168535D+02 -0.699624D+01 -0.230356D+01 -0.435026D+01 -0.220381D+01
      6  -0.736290D+01  0.300590D+01  0.317994D+01  0.349467D+01  0.854495D+01
                 6             7             8             9            10 
      1  -0.102841D+02  0.135118D+02 -0.954159D+01  0.232631D+01 -0.101306D+02
      2   0.637430D+01 -0.670266D+01  0.711741D+01 -0.228170D+01  0.263370D+01
      3   0.390977D+01 -0.680918D+01  0.242418D+01 -0.446174D-01  0.749693D+01
      4  -0.786332D-01 -0.781576D+01 -0.165376D+01  0.562759D+01  0.655428D+00
      5   0.105409D+02 -0.324110D+01  0.592635D+01  0.801037D+00  0.501820D+00
      6  -0.111064D+02  0.284768D+01 -0.790328D+01  0.524576D+01  0.105924D+01
                11            12            13            14            15 
      1  -0.175636D+01  0.399531D+01  0.232448D+00 -0.109855D+01  0.566456D+00
      2   0.106511D+01  0.194384D+00 -0.963966D+00  0.156416D+01 -0.185541D+01
      3   0.691253D+00 -0.418969D+01  0.731518D+00 -0.465612D+00  0.128895D+01
      4  -0.563412D+01  0.195815D+01  0.531139D-01 -0.233519D+01 -0.103086D+01
      5   0.105752D+01 -0.759391D+01  0.186346D+01 -0.573660D+00 -0.117889D+00
      6   0.623730D+00  0.981119D+00  0.144127D+01 -0.412634D+00  0.310105D+01
                16            17            18            19            20 
      1   0.627190D+00 -0.293530D+01  0.134694D+02  0.624892D+01  0.583971D+01
      2  -0.104673D+01  0.392857D+00  0.686698D+01  0.117547D+00 -0.188090D+01
      3   0.419536D+00  0.254245D+01 -0.203364D+02 -0.636647D+01 -0.395882D+01
      4   0.161522D+01 -0.654792D+00  0.169020D+01  0.106340D+02  0.133641D+02
      5   0.812734D+00  0.831189D+00 -0.537272D+01  0.177579D+01  0.291948D+01
      6   0.648971D+00 -0.348066D-01  0.519790D+01  0.325241D+01  0.971441D+00
                21            22            23            24            25 
      1  -0.188786D+01  0.804136D+00 -0.108450D+02 -0.162028D+01  0.412684D+00
      2  -0.192840D+01  0.288575D+01  0.186139D+02 -0.154206D+01 -0.352003D+00
      3   0.381627D+01 -0.368989D+01 -0.776894D+01  0.316234D+01 -0.606805D-01
      4   0.329923D+01  0.134406D+02  0.185971D+02  0.162602D+01  0.272419D+01
      5   0.829434D+01  0.376647D+01  0.985563D+00  0.981102D+00  0.545732D+01
      6   0.532182D+00 -0.128854D+01  0.319631D+01  0.115818D+02  0.255245D+01
                26            27            28            29            30 
      1  -0.171046D+01 -0.692255D+01  0.867022D+00 -0.283471D+01  0.138099D+01
      2  -0.640063D-01 -0.402172D+00 -0.333316D+00  0.154638D+01 -0.382193D+00
      3   0.177447D+01  0.732473D+01 -0.533706D+00  0.128834D+01 -0.998793D+00
      4   0.347650D+01  0.517680D+01 -0.224537D+01  0.362505D+01 -0.136540D+01
      5   0.475928D+01  0.471981D+01 -0.337724D+00 -0.825043D+00  0.364930D+01
      6   0.959518D+01  0.589789D+01 -0.200952D+01 -0.117508D+01  0.235801D+00
                31            32            33            34            35 
      1  -0.194100D+01 -0.848009D+01  0.666111D+01  0.539793D+00  0.823690D+01
      2   0.824036D+00  0.101042D+02 -0.560413D+01 -0.678179D+00 -0.601922D+01
      3   0.111697D+01 -0.162410D+01 -0.105698D+01  0.138386D+00 -0.221769D+01
      4   0.516744D+01 -0.631326D+01  0.474830D+01 -0.317690D+01  0.564688D+01
      5  -0.244575D+01  0.568323D+01 -0.627969D+01  0.528366D+01 -0.671069D+01
      6   0.129499D+01 -0.115601D+02  0.110746D+02 -0.229191D+01  0.125673D+02
                36            37            38            39            40 
      1  -0.102410D+02  0.257901D+02 -0.514523D+01 -0.808360D+01 -0.461112D+01
      2   0.424172D+00 -0.126155D+02  0.345970D+00  0.514500D+01 -0.184429D+00
      3   0.981684D+01 -0.131746D+02  0.479926D+01  0.293859D+01  0.479555D+01
      4  -0.548077D+01 -0.156648D+02  0.107339D+02  0.607413D+01  0.103438D+02
      5   0.113194D+02 -0.146267D+02  0.483150D+01  0.111754D+02  0.315708D+01
      6  -0.153319D+02  0.668900D+01 -0.348074D+01 -0.524603D+01 -0.345698D+01
                41            42            43            44            45 
      1   0.303996D+01  0.105375D+01 -0.112057D+02  0.271714D+01  0.348742D+01
      2   0.891463D+00  0.447018D+00  0.736010D+01 -0.899400D+00 -0.541405D+01
      3  -0.393142D+01 -0.150077D+01  0.384563D+01 -0.181774D+01  0.192663D+01
      4  -0.696939D+01 -0.388791D+01  0.806935D+01 -0.520363D+01 -0.657659D+01
      5  -0.345669D+01 -0.361008D+01  0.134135D+02 -0.583773D+01 -0.116961D+02
      6   0.266296D+01  0.483709D+01 -0.573570D+01  0.553415D+01  0.521856D+01
                46            47            48            49            50 
      1   0.158438D+00 -0.223255D+00  0.335008D+00 -0.195223D+00 -0.434015D+01
      2  -0.317295D+01  0.392230D-01 -0.118675D+00  0.368379D+00  0.502075D+00
      3   0.301451D+01  0.184032D+00 -0.216333D+00 -0.173156D+00  0.383808D+01
      4  -0.272532D+00  0.236781D+01 -0.860348D+00  0.162871D+01 -0.444712D+00
      5   0.777349D+00 -0.109427D+01  0.814713D+01 -0.124520D+01  0.110473D+01
      6  -0.104285D+01  0.867296D-03  0.121770D+00 -0.944457D-01 -0.310431D+01
                51            52            53            54            55 
      1   0.420527D+01 -0.595237D+00  0.386905D+01 -0.243167D+02  0.200018D+01
      2   0.549704D+00 -0.115153D+01  0.401640D+00 -0.141536D+02 -0.483702D+01
      3  -0.475498D+01  0.174677D+01 -0.427069D+01  0.384703D+02  0.283684D+01
      4   0.675894D+00 -0.425739D+00  0.178278D+00 -0.617912D+00  0.304651D+01
      5  -0.848167D+00  0.560946D+01 -0.698711D+00  0.388459D+01 -0.108144D+02
      6   0.741072D+01 -0.791506D+00  0.667037D+01 -0.642344D+01 -0.272769D+01
                56            57            58            59            60 
      1   0.249289D+01 -0.821677D+01  0.213519D+01 -0.153812D+02 -0.405917D+01
      2  -0.266260D-01  0.317765D+01  0.119090D+00  0.223054D+01  0.277625D+00
      3  -0.246626D+01  0.503912D+01 -0.225428D+01  0.131507D+02  0.378155D+01
      4  -0.192358D+02 -0.479421D+01 -0.260586D+02  0.547201D+01 -0.798163D+01
      5  -0.437523D+01  0.136751D+01 -0.607137D+01 -0.745070D+01 -0.782638D+01
      6  -0.121108D+01 -0.567885D+00 -0.198987D+01 -0.326420D+01 -0.211845D+01
                61            62            63            64            65 
      1  -0.976027D+01 -0.432097D+01  0.712151D+01  0.112471D+00  0.434418D+00
      2   0.240948D+01 -0.613886D+00  0.192515D+01 -0.170896D+01 -0.461746D+00
      3   0.735079D+01  0.493485D+01 -0.904665D+01  0.159649D+01  0.273280D-01
      4  -0.616710D+01 -0.828293D+01 -0.774034D+01  0.181413D+00  0.300575D+01
      5  -0.103528D+01 -0.733879D+01  0.142882D+02 -0.137194D+01 -0.326586D+00
      6  -0.169301D+01 -0.145393D+01  0.217274D+01 -0.773849D+00  0.617416D+00
                66            67            68            69            70 
      1  -0.312067D+01  0.885946D+00 -0.794913D+00  0.239721D+01 -0.436112D+01
      2   0.149152D+01 -0.784718D+00  0.784438D+00 -0.138629D+00  0.404014D+01
      3   0.162915D+01 -0.101228D+00  0.104752D-01 -0.225858D+01  0.320980D+00
      4  -0.562876D+00  0.462794D+01  0.128387D+01 -0.249354D+01 -0.113314D+01
      5   0.482101D+01 -0.677825D+00 -0.224776D+01  0.426155D+01  0.741358D+01
      6   0.334861D+00 -0.284652D+00 -0.204107D+01  0.577900D+01  0.954733D+00
                71            72            73            74            75 
      1   0.253962D+01 -0.124020D+02  0.198144D+02 -0.105354D+02  0.147051D+01
      2  -0.248967D+00 -0.965030D+01 -0.665028D+01  0.290464D+01 -0.514712D+00
      3  -0.229065D+01  0.220523D+02 -0.131641D+02  0.763073D+01 -0.955801D+00
      4  -0.412843D+01  0.445534D+01 -0.147468D+02  0.168095D+02 -0.222303D+00
      5   0.387172D+01 -0.239939D+02  0.113227D+01  0.145334D-02  0.476784D+01
      6   0.551557D+01 -0.555848D+01  0.407627D+00 -0.378546D+00 -0.104595D+01
                76            77            78            79            80 
      1  -0.136156D+02  0.639547D+01 -0.137949D+00  0.270485D+01  0.410619D+00
      2   0.249134D+01  0.662380D+01 -0.251092D+00 -0.851982D+00 -0.391291D+00
      3   0.111242D+02 -0.130193D+02  0.389041D+00 -0.185287D+01 -0.193279D-01
      4   0.210260D+02 -0.251116D+02  0.206520D+01 -0.405163D+00  0.264061D+01
      5   0.556710D+00  0.170313D+01 -0.504398D+01  0.576732D+01 -0.396814D+01
      6  -0.580319D+00  0.103554D+01  0.385743D+01 -0.195431D+01  0.411090D+01
                81            82            83            84            85 
      1   0.636585D+00  0.185539D+02  0.815381D+01  0.538570D+01  0.107811D+02
      2  -0.957715D+00 -0.655546D+01 -0.166948D+01 -0.222594D+01 -0.160236D+01
      3   0.321130D+00 -0.119984D+02 -0.648433D+01 -0.315976D+01 -0.917875D+01
      4  -0.335794D+01  0.141746D+02  0.150045D+02  0.481828D+01  0.191611D+02
      5  -0.274926D+00  0.698294D+01  0.411691D+01  0.668751D+01  0.544668D+01
      6  -0.121524D+01  0.250852D+01  0.102609D+01  0.147420D+01  0.233677D+01
                86            87            88            89            90 
      1   0.466331D+01  0.167800D+01  0.754407D+01  0.119532D+01  0.832608D+00
      2   0.638151D+01  0.822014D+00 -0.360857D+01  0.785182D+00 -0.236514D+01
      3  -0.110448D+02 -0.250001D+01 -0.393550D+01 -0.198050D+01  0.153253D+01
      4   0.194884D+02  0.723007D+01  0.671504D+01  0.798129D+01  0.682363D+01
      5   0.645597D+01  0.794259D+01  0.818202D+01  0.664513D+01  0.719755D+01
      6   0.425202D+01  0.459579D+01  0.294222D+01  0.463015D+01  0.410570D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 10 01:39:46 2021, MaxMem=  6442450944 cpu:             943.2 elap:             118.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.48677 -10.49408 -10.48604 -10.43583  -1.21588
 Alpha  occ. eigenvalues --   -0.88750  -0.79588  -0.72889  -0.63570  -0.58833
 Alpha  occ. eigenvalues --   -0.54322  -0.51851  -0.48418  -0.47547  -0.40857
 Alpha  occ. eigenvalues --   -0.38831
 Alpha virt. eigenvalues --   -0.00937   0.00356   0.00404   0.01389   0.02783
 Alpha virt. eigenvalues --    0.03409   0.04973   0.06789   0.07519   0.09557
 Alpha virt. eigenvalues --    0.09720   0.11428   0.12100   0.13007   0.13785
 Alpha virt. eigenvalues --    0.14354   0.16042   0.17901   0.19736   0.22079
 Alpha virt. eigenvalues --    0.22771   0.23198   0.24802   0.25966   0.26411
 Alpha virt. eigenvalues --    0.27938   0.29043   0.32134   0.34387   0.35384
 Alpha virt. eigenvalues --    0.36209   0.37289   0.38551   0.39561   0.40449
 Alpha virt. eigenvalues --    0.41745   0.42608   0.43419   0.45147   0.47103
 Alpha virt. eigenvalues --    0.47835   0.49525   0.50804   0.51418   0.52675
 Alpha virt. eigenvalues --    0.53475   0.55012   0.55717   0.57365   0.58239
 Alpha virt. eigenvalues --    0.59464   0.60137   0.60327   0.62849   0.63925
 Alpha virt. eigenvalues --    0.65143   0.67008   0.67225   0.68989   0.72458
 Alpha virt. eigenvalues --    0.75137   0.75598   0.78972   0.80317   0.82744
 Alpha virt. eigenvalues --    0.86447   0.92667   0.95850   0.99027   1.01407
 Alpha virt. eigenvalues --    1.04359   1.04549   1.07594   1.11732   1.14640
 Alpha virt. eigenvalues --    1.16818   1.23244   1.26814   1.27969   1.30860
 Alpha virt. eigenvalues --    1.35754   1.43749   1.46920   1.51180   1.53087
 Alpha virt. eigenvalues --    1.54646   1.55591   1.61034   1.64320   1.68143
 Alpha virt. eigenvalues --    1.70004   1.72839   1.73396   1.77886   1.79234
 Alpha virt. eigenvalues --    1.84044   1.85952   1.88695   1.92379   1.96116
 Alpha virt. eigenvalues --    1.98154   2.01219   2.04583   2.08378   2.12203
 Alpha virt. eigenvalues --    2.13966   2.16691   2.19174   2.21627   2.26530
 Alpha virt. eigenvalues --    2.28714   2.36175   2.39258   2.46503   2.50041
 Alpha virt. eigenvalues --    2.50576   2.56156   2.60462   2.71852   2.74859
 Alpha virt. eigenvalues --    2.77836   2.81388   2.95375   3.16511   3.38378
 Alpha virt. eigenvalues --    3.49602   3.50608   3.61736   3.63245   3.67140
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.566841  -0.281675   0.231548   0.215286   0.105836  -0.084844
     2  C   -0.281675   4.948138   0.129304  -0.058319   0.133515   0.017629
     3  O    0.231548   0.129304   8.310239  -0.041789  -0.050102  -0.070263
     4  H    0.215286  -0.058319  -0.041789   1.627942  -0.360858   0.079990
     5  H    0.105836   0.133515  -0.050102  -0.360858   1.455667  -0.100622
     6  H   -0.084844   0.017629  -0.070263   0.079990  -0.100622   1.693804
     7  C   -0.395415   0.381818  -0.076270  -0.108061   0.067735  -0.092540
     8  H   -0.156314  -0.037262  -0.025632  -0.016534   0.008603   0.063959
     9  H   -0.011597   0.210063  -0.001931  -0.001956   0.001801  -0.047618
    10  H    0.029252  -0.055035   0.028121  -0.016811   0.010800  -0.082463
               7          8          9         10
     1  C   -0.395415  -0.156314  -0.011597   0.029252
     2  C    0.381818  -0.037262   0.210063  -0.055035
     3  O   -0.076270  -0.025632  -0.001931   0.028121
     4  H   -0.108061  -0.016534  -0.001956  -0.016811
     5  H    0.067735   0.008603   0.001801   0.010800
     6  H   -0.092540   0.063959  -0.047618  -0.082463
     7  C    5.072327   0.425459   0.224915   0.322286
     8  H    0.425459   1.259835  -0.208193  -0.173651
     9  H    0.224915  -0.208193   1.008538  -0.168702
    10  H    0.322286  -0.173651  -0.168702   1.129747
 Mulliken charges:
               1
     1  C    0.781083
     2  C    0.611823
     3  O   -0.433224
     4  H   -0.318891
     5  H   -0.272375
     6  H   -0.377032
     7  C    0.177746
     8  H   -0.140269
     9  H   -0.005319
    10  H   -0.023543
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.189817
     2  C    0.234792
     3  O   -0.433224
     7  C    0.008615
 Electronic spatial extent (au):  <R**2>=            267.1970
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9066    Y=              1.7668    Z=              0.7187  Tot=              2.1119
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -24.3137   YY=            -26.5753   ZZ=            -24.2419
   XY=             -2.4938   XZ=             -0.4289   YZ=             -1.2250
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7299   YY=             -1.5316   ZZ=              0.8017
   XY=             -2.4938   XZ=             -0.4289   YZ=             -1.2250
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -3.7340  YYY=             -1.2408  ZZZ=              0.0001  XYY=              0.9063
  XXY=              1.8160  XXZ=              1.0187  XZZ=             -1.1286  YZZ=              0.0078
  YYZ=             -0.1274  XYZ=              0.5180
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -217.9197 YYYY=            -77.5384 ZZZZ=            -55.3976 XXXY=             -2.2860
 XXXZ=             -0.4034 YYYX=             -1.0298 YYYZ=             -0.6322 ZZZX=             -0.0808
 ZZZY=             -2.2460 XXYY=            -48.1271 XXZZ=            -46.1118 YYZZ=            -22.5515
 XXYZ=              1.4873 YYXZ=              1.0301 ZZXY=              0.0667
 N-N= 1.248385457136D+02 E-N=-6.996249324857D+02  KE= 1.916608948104D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 10 01:39:46 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.37216662D-01 6.51403454D-01 2.66668172D-01
 Polarizability= 4.48763905D+01-2.93312603D+00 3.57863909D+01
                 9.62235258D-01-1.23787392D+00 3.61062710D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4359   -0.4365       -1.2587   -1.2602
 2      0.4359    0.4365        0.3446    0.3452       -4.2161   -4.2158
 3      1.2587    1.2602        4.3242    4.3253       -0.3437   -0.3452
 4     -0.3446   -0.3452       -0.0000    0.0000        1.2602    1.2602
 5     -0.1081   -0.1095       -1.2602   -1.2602       -0.4327   -0.4365
 6      0.3437    0.3452        0.4327    0.4365       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.3094    1.3094       -3.7806   -3.7806
 2     -1.0357   -1.0357       -0.0000    0.0000       -3.7806   -3.7806
 3     -1.0357   -1.0357        1.3094    1.3094       -0.0000    0.0000
 4      1.3094    1.3094        1.0357    1.0357      -12.6473  -12.6473
 5      3.7806    3.7806       12.9758   12.9758       -1.0357   -1.0357
 6     -0.3285   -0.3285       -3.7806   -3.7806       -1.3094   -1.3094
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0969    0.0000        1.6996    1.7458        4.9748    5.0408
 2     -1.7258   -1.7458       -1.4289   -1.3810       16.6974   16.8631
 3     -5.0542   -5.0408      -17.0926  -17.3011        1.7355    1.3810
 4      1.2880    1.3810       -0.0908    0.0000       -4.8550   -5.0408
 5      0.5546    0.4380        5.2218    5.0408        2.0049    1.7458
 6     -1.4906   -1.3810       -1.9019   -1.7458       -0.0704    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0460    0.0000       -2.5895   -2.4006        3.3434    3.4448
 2      2.3746    2.4006        0.6599    0.7019       -0.0831   -0.0348
 3     -3.5292   -3.4448       -4.2314   -4.3782       -0.6133   -0.7019
 4     -0.7949   -0.7019       -0.0971    0.0000       -3.3717   -3.4448
 5      4.6221    4.4130        3.5875    3.4448       -2.4834   -2.4006
 6      0.8256    0.7019        2.5757    2.4006        0.0915    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.3424   -4.2993       -3.7849   -3.7798        9.6830    9.5409
 2     -5.9537   -5.8787       -4.7807   -4.6259        9.6339    9.5409
 3     -5.9668   -5.8787       -3.8284   -3.7798       10.6470   10.4177
 4      0.9066    0.8461        1.4615    1.5794        1.1431    1.2312
 5      0.8321    0.8769       -6.6338   -6.8807       -1.5604   -1.5794
 6      5.7148    5.6495       -0.6908   -0.8769       -1.0241   -0.8461
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2549   -2.6807    0.0012    0.0012    0.0012    1.3940
 Low frequencies ---  208.5603  368.3053  412.7048
 Diagonal vibrational polarizability:
        2.4450325       2.1399991       1.0898724
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    208.5603               368.3052               412.7048
 Red. masses --      1.0932                 2.3273                 2.4401
 Frc consts  --      0.0280                 0.1860                 0.2449
 IR Inten    --      0.4184                 3.6511                 4.5016
 RamAct Fr= 1--      0.0514                 0.8799                 1.1177
  Dep-P Fr= 1--      0.7447                 0.5480                 0.2117
  Dep-U Fr= 1--      0.8537                 0.7080                 0.3494
 Alpha2 Fr= 1--      0.0000                 0.0034                 0.0147
 Beta2  Fr= 1--      0.0073                 0.1038                 0.0651
 AlphaG Fr= 1--      0.0002                 0.0002                -0.0080
 Gamma2 Fr= 1--     -0.0154                -0.1226                -0.0313
 Delta2 Fr= 1--      0.0151                -0.0118                 0.0212
 Raman1 Fr= 1--       0.206                  3.520                  4.471
 ROA1   Fr= 1--      -0.993                -12.148                 -2.330
 CID1   Fr= 1--      -4.830                 -3.452                 -0.521
 Raman2 Fr= 1--       0.088                  1.246                  0.781
 ROA2   Fr= 1--      -0.490                 -2.848                 -0.922
 CID2   Fr= 1--      -5.579                 -2.286                 -1.181
 Raman3 Fr= 1--       0.176                  2.492                  1.562
 ROA3   Fr= 1--      -0.993                -12.148                 -2.330
 CID3   Fr= 1--      -5.657                 -4.875                 -1.491
 RC180  Fr= 1--       0.707                  0.416                 -0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04     0.18   0.03  -0.07     0.08   0.01  -0.03
     2   6    -0.00   0.05   0.00     0.00  -0.17   0.02    -0.04   0.01   0.20
     3   8     0.02  -0.02   0.04    -0.14  -0.05   0.07     0.16   0.02  -0.05
     4   1    -0.03  -0.06  -0.07     0.45  -0.09  -0.13     0.36   0.09   0.05
     5   1    -0.03  -0.00  -0.06     0.17   0.31  -0.21    -0.13  -0.06  -0.27
     6   1     0.00   0.10   0.01     0.01  -0.15   0.02    -0.09  -0.06   0.19
     7   6     0.00  -0.01  -0.00    -0.04   0.13  -0.01    -0.19  -0.03  -0.06
     8   1     0.04   0.53   0.10    -0.13   0.38   0.05    -0.60  -0.11  -0.04
     9   1    -0.26  -0.22  -0.46     0.23   0.27  -0.25    -0.22  -0.06  -0.23
    10   1     0.25  -0.40   0.36    -0.25   0.18   0.16     0.03  -0.02  -0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --    773.2803               846.2451               909.0682
 Red. masses --      3.6376                 3.1441                 1.2762
 Frc consts  --      1.2815                 1.3266                 0.6214
 IR Inten    --      7.6508                43.0417                 2.6520
 RamAct Fr= 1--      8.0876                 8.8580                 3.0489
  Dep-P Fr= 1--      0.5213                 0.5621                 0.6431
  Dep-U Fr= 1--      0.6853                 0.7197                 0.7828
 Alpha2 Fr= 1--      0.0360                 0.0316                 0.0059
 Beta2  Fr= 1--      0.9238                 1.0625                 0.3978
 AlphaG Fr= 1--      0.0149                -0.0076                 0.0012
 Gamma2 Fr= 1--      0.6909                -1.1464                -0.7085
 Delta2 Fr= 1--      0.5363                -0.0633                -0.7128
 Raman1 Fr= 1--      32.351                 35.432                 12.196
 ROA1   Fr= 1--      83.489               -112.078                -90.829
 CID1   Fr= 1--       2.581                 -3.163                 -7.448
 Raman2 Fr= 1--      11.086                 12.750                  4.773
 ROA2   Fr= 1--      12.291                -27.006                -11.303
 CID2   Fr= 1--       1.109                 -2.118                 -2.368
 Raman3 Fr= 1--      22.171                 25.499                  9.547
 ROA3   Fr= 1--      83.489               -112.078                -90.829
 CID3   Fr= 1--       3.766                 -4.395                 -9.514
 RC180  Fr= 1--       0.371                  0.439                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.22   0.05     0.20  -0.08   0.06    -0.01   0.05   0.07
     2   6    -0.09  -0.09  -0.22     0.04   0.22   0.00    -0.05   0.03  -0.02
     3   8     0.20  -0.10   0.06    -0.12  -0.16  -0.13    -0.01  -0.08   0.01
     4   1    -0.25   0.06  -0.07     0.03   0.04   0.13     0.51   0.11   0.16
     5   1     0.26   0.09   0.31     0.54   0.11   0.42    -0.34   0.02  -0.36
     6   1     0.04   0.23  -0.13    -0.04   0.33   0.01     0.20  -0.23  -0.08
     7   6    -0.21  -0.04   0.02    -0.10   0.05   0.05     0.01   0.06  -0.05
     8   1     0.16   0.05   0.01    -0.07  -0.08   0.02     0.37  -0.10  -0.12
     9   1    -0.18   0.01   0.22    -0.38  -0.10   0.16    -0.28  -0.09   0.25
    10   1    -0.49  -0.04   0.35     0.15  -0.07  -0.05     0.15  -0.10   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    975.4215              1043.2588              1130.8804
 Red. masses --      2.4011                 1.1810                 1.4750
 Frc consts  --      1.3460                 0.7573                 1.1114
 IR Inten    --     15.5528                 8.6648                 6.7644
 RamAct Fr= 1--      5.4659                 1.3502                 1.4163
  Dep-P Fr= 1--      0.1554                 0.3366                 0.5206
  Dep-U Fr= 1--      0.2690                 0.5037                 0.6847
 Alpha2 Fr= 1--      0.0833                 0.0124                 0.0063
 Beta2  Fr= 1--      0.2451                 0.1133                 0.1616
 AlphaG Fr= 1--      0.0192                 0.0217                -0.0141
 Gamma2 Fr= 1--      0.2088                 0.3085                -0.0769
 Delta2 Fr= 1--      0.0303                 0.2857                -0.1720
 Raman1 Fr= 1--      21.863                  5.401                  5.665
 ROA1   Fr= 1--      21.017                 38.761                -12.883
 CID1   Fr= 1--       0.961                  7.177                 -2.274
 Raman2 Fr= 1--       2.941                  1.360                  1.939
 ROA2   Fr= 1--       4.769                  5.119                 -0.468
 CID2   Fr= 1--       1.621                  3.764                 -0.241
 Raman3 Fr= 1--       5.882                  2.720                  3.879
 ROA3   Fr= 1--      21.017                 38.761                -12.883
 CID3   Fr= 1--       3.573                 14.250                 -3.321
 RC180  Fr= 1--      -0.462                  0.007                  0.369
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.04     0.01   0.01   0.00    -0.06   0.01   0.10
     2   6    -0.13  -0.04   0.01    -0.03   0.04   0.04    -0.00   0.10   0.03
     3   8     0.01  -0.16  -0.02    -0.02  -0.03  -0.02     0.03  -0.04  -0.06
     4   1    -0.15   0.07  -0.04     0.16   0.37   0.26     0.16  -0.47  -0.19
     5   1    -0.03   0.11   0.06    -0.15  -0.31  -0.07    -0.02   0.62  -0.09
     6   1    -0.43   0.14   0.06    -0.03   0.54   0.14     0.02  -0.14  -0.02
     7   6     0.17   0.04   0.03     0.03  -0.08  -0.06     0.01  -0.09  -0.02
     8   1    -0.34  -0.07   0.04     0.14   0.17  -0.01    -0.01   0.18   0.04
     9   1     0.15  -0.02  -0.34     0.35   0.12  -0.07     0.32   0.10  -0.07
    10   1     0.46   0.07  -0.39    -0.32   0.05   0.16    -0.31   0.07   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --   1158.5581              1167.6529              1190.1083
 Red. masses --      1.3981                 1.5867                 1.5879
 Frc consts  --      1.1056                 1.2746                 1.3251
 IR Inten    --      1.7277                 3.6287                 0.6942
 RamAct Fr= 1--      2.4006                 1.7545                 3.1173
  Dep-P Fr= 1--      0.7071                 0.5253                 0.1348
  Dep-U Fr= 1--      0.8284                 0.6888                 0.2376
 Alpha2 Fr= 1--      0.0018                 0.0077                 0.0501
 Beta2  Fr= 1--      0.3315                 0.2014                 0.1235
 AlphaG Fr= 1--      0.0006                -0.0040                 0.0301
 Gamma2 Fr= 1--      0.5350                 0.1539                -0.8226
 Delta2 Fr= 1--      0.0714                 0.1746                -0.4510
 Raman1 Fr= 1--       9.603                  7.018                 12.469
 ROA1   Fr= 1--      53.644                 20.361                -93.404
 CID1   Fr= 1--       5.586                  2.901                 -7.491
 Raman2 Fr= 1--       3.977                  2.417                  1.481
 ROA2   Fr= 1--      12.268                  2.296                -16.135
 CID2   Fr= 1--       3.084                  0.950                -10.891
 Raman3 Fr= 1--       7.955                  4.834                  2.963
 ROA3   Fr= 1--      53.644                 20.361                -93.404
 CID3   Fr= 1--       6.743                  4.212                -31.524
 RC180  Fr= 1--       0.657                  0.378                 -0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.09  -0.04    -0.05  -0.01  -0.05    -0.01  -0.05   0.11
     2   6    -0.08  -0.05   0.00     0.05   0.10  -0.12     0.06  -0.07  -0.14
     3   8     0.05   0.04   0.02     0.00  -0.03   0.06    -0.01   0.05  -0.02
     4   1     0.45   0.20   0.22     0.32   0.46   0.29     0.32  -0.28  -0.01
     5   1     0.41   0.47   0.37     0.02  -0.02   0.04    -0.27   0.06  -0.26
     6   1    -0.25   0.19   0.05     0.08  -0.42  -0.24    -0.02   0.68   0.01
     7   6     0.02   0.03  -0.04    -0.01  -0.06   0.10    -0.01   0.02   0.08
     8   1     0.17  -0.04  -0.07    -0.44   0.05   0.16    -0.31  -0.11   0.08
     9   1    -0.04  -0.01   0.02     0.13   0.00  -0.20    -0.12  -0.07  -0.11
    10   1     0.11  -0.04  -0.02    -0.10   0.13  -0.11     0.10   0.03  -0.10
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1295.6811              1407.4016              1441.0215
 Red. masses --      1.5711                 1.2498                 1.6122
 Frc consts  --      1.5540                 1.4586                 1.9724
 IR Inten    --      5.4334                 3.4464                21.3968
 RamAct Fr= 1--     22.6365                 1.2571                 8.8741
  Dep-P Fr= 1--      0.2224                 0.4885                 0.3240
  Dep-U Fr= 1--      0.3639                 0.6564                 0.4894
 Alpha2 Fr= 1--      0.2895                 0.0065                 0.0846
 Beta2  Fr= 1--      1.3728                 0.1375                 0.7239
 AlphaG Fr= 1--     -0.0223                 0.0024                -0.0418
 Gamma2 Fr= 1--      0.6408                 0.1957                -0.9529
 Delta2 Fr= 1--     -0.0272                 0.0964                -0.2416
 Raman1 Fr= 1--      90.546                  5.028                 35.497
 ROA1   Fr= 1--      60.647                 21.870                -99.210
 CID1   Fr= 1--       0.670                  4.349                 -2.795
 Raman2 Fr= 1--      16.474                  1.650                  8.686
 ROA2   Fr= 1--      15.597                  3.926                -20.936
 CID2   Fr= 1--       0.947                  2.379                 -2.410
 Raman3 Fr= 1--      32.948                  3.301                 17.372
 ROA3   Fr= 1--      60.647                 21.870                -99.210
 CID3   Fr= 1--       1.841                  6.626                 -5.711
 RC180  Fr= 1--      -0.272                  0.313                 -0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.07  -0.07     0.02  -0.01   0.01    -0.04   0.03   0.00
     2   6     0.09  -0.07   0.07    -0.07   0.01  -0.02     0.19  -0.02   0.00
     3   8    -0.01  -0.06  -0.05     0.00   0.02   0.00    -0.01  -0.04   0.00
     4   1    -0.09   0.22   0.02     0.08  -0.12  -0.05    -0.15   0.22   0.10
     5   1     0.05   0.32   0.06     0.04  -0.14   0.07    -0.15   0.24  -0.19
     6   1     0.82   0.26   0.16     0.31   0.01  -0.02    -0.61  -0.01  -0.01
     7   6    -0.02   0.02   0.03    -0.10  -0.03   0.07    -0.12   0.01  -0.01
     8   1    -0.09  -0.08   0.02     0.48   0.08   0.03     0.21  -0.02  -0.04
     9   1    -0.05  -0.01   0.02     0.37   0.21  -0.29     0.27   0.25   0.11
    10   1     0.07  -0.04   0.03     0.37  -0.03  -0.44     0.31  -0.29   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1483.2160              1496.8023              1532.1776
 Red. masses --      1.0508                 1.0594                 1.3754
 Frc consts  --      1.3620                 1.3984                 1.9024
 IR Inten    --      5.4887                 6.3102                 5.7259
 RamAct Fr= 1--      3.8600                 5.4933                 2.7220
  Dep-P Fr= 1--      0.7429                 0.7078                 0.4701
  Dep-U Fr= 1--      0.8525                 0.8289                 0.6396
 Alpha2 Fr= 1--      0.0005                 0.0040                 0.0154
 Beta2  Fr= 1--      0.5485                 0.7589                 0.2901
 AlphaG Fr= 1--      0.0025                -0.0064                -0.0084
 Gamma2 Fr= 1--     -0.4038                 1.8280                -0.5627
 Delta2 Fr= 1--     -0.1094                 0.5543                -0.1342
 Raman1 Fr= 1--      15.440                 21.973                 10.888
 ROA1   Fr= 1--     -42.272                193.232                -58.313
 CID1   Fr= 1--      -2.738                  8.794                 -5.356
 Raman2 Fr= 1--       6.581                  9.107                  3.482
 ROA2   Fr= 1--      -8.817                 39.438                -12.431
 CID2   Fr= 1--      -1.340                  4.330                 -3.570
 Raman3 Fr= 1--      13.163                 18.214                  6.963
 ROA3   Fr= 1--     -42.272                193.232                -58.313
 CID3   Fr= 1--      -3.211                 10.609                 -8.374
 RC180  Fr= 1--       0.705                  0.658                  0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.09   0.10  -0.03
     2   6     0.03  -0.03   0.01    -0.04   0.00  -0.02     0.10  -0.01   0.03
     3   8     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.02  -0.02  -0.01
     4   1    -0.10   0.09   0.05     0.12  -0.09  -0.05     0.53  -0.34  -0.24
     5   1    -0.03   0.11  -0.08     0.04  -0.12   0.09     0.10  -0.49   0.43
     6   1    -0.07   0.04   0.02     0.14   0.01  -0.02    -0.18  -0.01   0.03
     7   6     0.01  -0.05   0.00     0.00  -0.02  -0.04    -0.02  -0.00  -0.00
     8   1     0.14   0.62   0.13    -0.42   0.30   0.08     0.10   0.05  -0.00
     9   1    -0.28  -0.17   0.29     0.25   0.21   0.58    -0.11  -0.06   0.00
    10   1    -0.05   0.30  -0.49     0.34  -0.30   0.07    -0.08   0.07  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --   3032.9805              3083.5766              3090.9648
 Red. masses --      1.0353                 1.0500                 1.1007
 Frc consts  --      5.6113                 5.8826                 6.1961
 IR Inten    --     17.9721                27.9875                18.6482
 RamAct Fr= 1--    192.3473               115.0799                83.1085
  Dep-P Fr= 1--      0.0121                 0.0901                 0.6975
  Dep-U Fr= 1--      0.0239                 0.1653                 0.8218
 Alpha2 Fr= 1--      4.1554                 2.0643                 0.0761
 Beta2  Fr= 1--      0.7646                 3.1697                11.3832
 AlphaG Fr= 1--     -0.1655                 0.2484                 0.1414
 Gamma2 Fr= 1--     -0.2850                 7.1629                 1.8131
 Delta2 Fr= 1--      0.1148                 0.9899                 2.5281
 Raman1 Fr= 1--     769.389                460.320                332.434
 ROA1   Fr= 1--     -23.689                719.312                254.960
 CID1   Fr= 1--      -0.031                  1.563                  0.767
 Raman2 Fr= 1--       9.175                 38.037                136.598
 ROA2   Fr= 1--      -7.758                163.990                 23.291
 CID2   Fr= 1--      -0.846                  4.311                  0.171
 Raman3 Fr= 1--      18.350                 76.074                273.196
 ROA3   Fr= 1--     -23.689                719.312                254.960
 CID3   Fr= 1--      -1.291                  9.455                  0.933
 RC180  Fr= 1--      -0.952                 -0.669                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.04   0.04  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   1     0.00   0.01  -0.01    -0.07  -0.38   0.60    -0.00  -0.00   0.00
     5   1    -0.00   0.00   0.00     0.51  -0.15  -0.42    -0.00   0.00   0.00
     6   1     0.00  -0.01   0.03     0.00  -0.03   0.15     0.00   0.02  -0.11
     7   6     0.05   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.09  -0.03
     8   1     0.05  -0.10   0.48    -0.01   0.01  -0.06     0.01  -0.04   0.09
     9   1    -0.29   0.50  -0.06    -0.02   0.04  -0.00    -0.37   0.58  -0.08
    10   1    -0.33  -0.47  -0.28    -0.01  -0.01  -0.01     0.37   0.51   0.31
                     22                     23                     24
                      A                      A                      A
 Frequencies --   3091.8404              3114.6657              3167.3052
 Red. masses --      1.0901                 1.0998                 1.1202
 Frc consts  --      6.1397                 6.2862                 6.6211
 IR Inten    --     10.5636                37.0962                29.6776
 RamAct Fr= 1--    193.4406                27.8573                76.1296
  Dep-P Fr= 1--      0.3158                 0.2131                 0.6880
  Dep-U Fr= 1--      0.4800                 0.3513                 0.8151
 Alpha2 Fr= 1--      1.8916                 0.3653                 0.0829
 Beta2  Fr= 1--     15.4741                 1.6310                10.3426
 AlphaG Fr= 1--     -0.3312                -0.1740                 0.1355
 Gamma2 Fr= 1--    -15.2046                 3.8813                 3.2807
 Delta2 Fr= 1--    -11.3870                 3.3393                 2.8713
 Raman1 Fr= 1--     773.762                111.429                304.518
 ROA1   Fr= 1--   -1824.022                479.466                406.829
 CID1   Fr= 1--      -2.357                  4.303                  1.336
 Raman2 Fr= 1--     185.690                 19.572                124.111
 ROA2   Fr= 1--    -273.814                 66.438                 55.767
 CID2   Fr= 1--      -1.475                  3.395                  0.449
 Raman3 Fr= 1--     371.379                 39.143                248.222
 ROA3   Fr= 1--   -1824.022                479.466                406.829
 CID3   Fr= 1--      -4.911                 12.249                  1.639
 RC180  Fr= 1--      -0.040                 -0.297                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01    -0.00  -0.00   0.01     0.05   0.02  -0.08
     2   6     0.00   0.02  -0.07    -0.00   0.01  -0.04     0.00   0.00  -0.01
     3   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.02   0.09  -0.14     0.01   0.03  -0.05    -0.05  -0.36   0.56
     5   1    -0.06   0.01   0.04     0.04  -0.01  -0.03    -0.56   0.17   0.43
     6   1    -0.01  -0.17   0.82    -0.01  -0.10   0.48     0.00  -0.03   0.10
     7   6     0.01  -0.02   0.04    -0.03   0.02  -0.07    -0.00   0.00  -0.00
     8   1    -0.04   0.09  -0.42     0.06  -0.15   0.73     0.00  -0.01   0.03
     9   1    -0.12   0.21  -0.02     0.16  -0.28   0.02     0.00  -0.01   0.00
    10   1    -0.02  -0.05  -0.02     0.15   0.22   0.12     0.01   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  1 and mass   1.00783
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Molecular mass:    58.04186 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --    99.06019 270.16776 303.22575
           X            0.99884  -0.04603  -0.01409
           Y            0.04415   0.99263  -0.11282
           Z            0.01918   0.11207   0.99352
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.87436     0.32059     0.28564
 Rotational constants (GHZ):          18.21863     6.68008     5.95181
 Zero-point vibrational energy     223831.3 (Joules/Mol)
                                   53.49697 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.07   529.91   593.79  1112.58  1217.56
          (Kelvin)           1307.95  1403.41  1501.02  1627.08  1666.91
                             1679.99  1712.30  1864.20  2024.94  2073.31
                             2134.02  2153.56  2204.46  4363.78  4436.58
                             4447.21  4448.47  4481.31  4557.05
 
 Zero-point correction=                           0.085253 (Hartree/Particle)
 Thermal correction to Energy=                    0.089666
 Thermal correction to Enthalpy=                  0.090610
 Thermal correction to Gibbs Free Energy=         0.058882
 Sum of electronic and zero-point Energies=           -193.114009
 Sum of electronic and thermal Energies=              -193.109597
 Sum of electronic and thermal Enthalpies=            -193.108652
 Sum of electronic and thermal Free Energies=         -193.140380
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   56.266             14.762             66.776
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.096
 Rotational               0.889              2.981             23.610
 Vibrational             54.489              8.801              5.069
 Vibration     1          0.642              1.828              2.056
 Vibration     2          0.741              1.537              1.087
 Vibration     3          0.776              1.443              0.917
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.824081D-27        -27.084030        -62.363284
 Total V=0       0.134749D+13         12.129526         27.929265
 Vib (Bot)       0.147031D-38        -38.832591        -89.415345
 Vib (Bot)    1  0.952867D+00         -0.020968         -0.048280
 Vib (Bot)    2  0.494886D+00         -0.305495         -0.703428
 Vib (Bot)    3  0.427820D+00         -0.368739         -0.849053
 Vib (V=0)       0.240417D+01          0.380965          0.877204
 Vib (V=0)    1  0.157608D+01          0.197579          0.454943
 Vib (V=0)    2  0.120350D+01          0.080446          0.185234
 Vib (V=0)    3  0.115805D+01          0.063727          0.146737
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.173806D+08          7.240066         16.670868
 Rotational      0.322474D+05          4.508495         10.381193
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33333 3                                                           111 11    1  1111   1                                         
     11000 0                                                           544 44    2  1111   0 9  9  8 7              4 3     2        
     61998 3                                                           398 40    9  9653   4 7  0  4 7              1 6     0        
     75214 3                                                           273 17    6  0891   3 5  9  6 3              3 8     9        
 
     XXXXX X                                                           XXX XX    X  XXXX   X X  X  X X              X X     X        
     XXXXX X                                                           XXX XX    X   X X   X X     X X              X X              
     XXXXX X                                                           XXX X     X     X   X X     X X                               
     XXXXX X                                                               X               X X     X X                               
     XXXXX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                       X                                 
     XX XX                                                                 X                       X                                 
     XX  X                                                                 X                       X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
                                                                                                   X                                 
                                                                                                   X                                 
                                                                                                   X                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001753   -0.000000545    0.000000103
      2        6          -0.000002096   -0.000001456    0.000003468
      3        8          -0.000000351   -0.000000432    0.000000897
      4        1           0.000003247    0.000000589   -0.000003758
      5        1          -0.000001297    0.000000211    0.000001116
      6        1           0.000000049    0.000000068    0.000000469
      7        6           0.000002878   -0.000001473   -0.000003016
      8        1          -0.000003004    0.000001178    0.000001581
      9        1           0.000000402    0.000000237   -0.000000877
     10        1          -0.000001580    0.000001623    0.000000018
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000003758 RMS     0.000001730
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.522567D+00
      2 -0.157126D+00  0.439494D+00
      3 -0.108173D+00 -0.135505D+00  0.549398D+00
      4 -0.205289D+00  0.124831D+00 -0.607234D-01  0.592733D+00
      5  0.765727D-01 -0.498009D-01  0.516438D-01 -0.382914D-01  0.279221D+00
      6 -0.696786D-01  0.772233D-01 -0.862307D-01  0.336646D-01 -0.895262D-01
      7 -0.324195D-01 -0.100829D-02  0.168730D-01 -0.113853D+00 -0.483605D-01
      8  0.388367D-01 -0.217794D+00 -0.121355D-01 -0.866648D-01 -0.844057D-01
      9  0.258899D-01 -0.330541D-01 -0.546621D-01 -0.536510D-01 -0.378219D-01
     10 -0.535078D-01 -0.938752D-02  0.293756D-01  0.434096D-02  0.147296D-01
     11 -0.124654D-01 -0.112845D+00  0.118141D+00  0.127956D-03 -0.498189D-02
     12  0.275079D-01  0.123557D+00 -0.249626D+00  0.460161D-02  0.600940D-02
     13 -0.209076D+00  0.453904D-01  0.131543D+00 -0.135676D-01  0.288948D-02
     14  0.388132D-01 -0.541025D-01 -0.275256D-01 -0.126420D-02 -0.746937D-02
     15  0.131152D+00 -0.267949D-01 -0.156183D+00 -0.133386D-01  0.200689D-02
     16 -0.273725D-02  0.135840D-02 -0.197146D-01 -0.502986D-01 -0.204812D-02
     17 -0.415486D-02 -0.680000D-02  0.236040D-01  0.263555D-02 -0.577838D-01
     18 -0.745279D-03 -0.278877D-02 -0.323732D-02  0.118235D-01  0.603984D-01
     19 -0.188137D-01 -0.409320D-02  0.521320D-02 -0.181885D+00 -0.503361D-02
     20  0.227294D-01 -0.179650D-03 -0.171867D-01  0.171299D-02 -0.743107D-01
     21 -0.497664D-02 -0.265159D-02  0.172865D-02  0.647057D-01  0.805986D-02
     22  0.164073D-02  0.311829D-03  0.168179D-02  0.985356D-03 -0.636406D-02
     23  0.134417D-03  0.113671D-02 -0.851464D-03 -0.434617D-03 -0.201197D-02
     24 -0.103326D-02 -0.134984D-03  0.279418D-03 -0.165294D-02  0.243364D-02
     25 -0.344474D-02  0.572262D-03  0.529160D-02 -0.202283D-01  0.278409D-01
     26 -0.234901D-02  0.753746D-03 -0.374498D-03 -0.227063D-02  0.394280D-02
     27  0.944319D-03  0.399617D-03 -0.172869D-02  0.885914D-02 -0.143811D-01
     28  0.108053D-02 -0.849717D-03 -0.136733D-02 -0.129380D-01 -0.219349D-01
     29 -0.991628D-03  0.137592D-03  0.189888D-03 -0.382177D-03 -0.239906D-02
     30 -0.887061D-03 -0.250263D-03  0.262561D-03  0.571143D-02  0.111773D-01
                6             7             8             9            10 
      6  0.620284D+00
      7 -0.412045D-01  0.171671D+00
      8 -0.579937D-01  0.488325D-01  0.340333D+00
      9 -0.105293D+00  0.543535D-01  0.831523D-01  0.145693D+00
     10 -0.236221D-01 -0.314058D-03 -0.140659D-02  0.244505D-02  0.493774D-01
     11 -0.502454D-02  0.566348D-02 -0.275027D-01  0.256987D-01  0.633000D-02
     12 -0.121556D-01 -0.382412D-02 -0.485119D-02  0.158442D-01 -0.274379D-01
     13  0.185601D-01  0.657210D-02  0.523700D-02 -0.772865D-02  0.279189D-03
     14  0.175703D-02  0.307806D-01 -0.165903D-01 -0.174354D-01 -0.118415D-01
     15  0.120492D-01  0.510287D-02 -0.668230D-02 -0.739214D-03  0.186465D-01
     16  0.123893D-01 -0.675517D-02  0.288887D-02 -0.207564D-01 -0.158989D-02
     17  0.643553D-01 -0.519627D-02  0.587008D-02 -0.310666D-01  0.309743D-02
     18 -0.301865D+00 -0.124503D-01 -0.177007D-02 -0.132831D-01  0.450162D-03
     19  0.582050D-01 -0.236860D-01 -0.561593D-02 -0.136371D-02  0.150210D-02
     20  0.869755D-02 -0.342129D-01 -0.209315D-02  0.893042D-02 -0.134591D-02
     21 -0.118070D+00 -0.206588D-01 -0.231672D-02  0.884985D-02 -0.971823D-03
     22  0.331769D-01  0.294810D-02 -0.443335D-05 -0.176061D-02 -0.236067D-03
     23  0.262741D-02  0.597754D-03 -0.580863D-03  0.252871D-03  0.381633D-04
     24 -0.172650D-01 -0.471823D-03  0.223944D-03  0.247839D-02  0.749255D-03
     25 -0.469240D-02  0.332653D-02 -0.170325D-02 -0.955700D-03  0.411765D-03
     26 -0.966769D-03  0.211847D-02  0.129630D-02  0.507584D-03 -0.164323D-03
     27  0.183683D-02 -0.123467D-02  0.126764D-02  0.595382D-03  0.323041D-03
     28 -0.167983D-01 -0.748996D-02 -0.400084D-03  0.352766D-02 -0.263538D-03
     29 -0.114940D-02  0.785134D-03  0.146759D-02  0.836133D-03 -0.492901D-04
     30  0.670902D-02  0.351484D-02  0.110557D-02  0.516082D-03  0.422028D-04
               11            12            13            14            15 
     11  0.136927D+00
     12 -0.133919D+00  0.254914D+00
     13  0.495808D-03 -0.814634D-03  0.216528D+00
     14  0.712167D-02  0.869025D-02 -0.564753D-01  0.690496D-01
     15 -0.506683D-02 -0.113866D-01 -0.140335D+00  0.350583D-01  0.156294D+00
     16 -0.984815D-03 -0.747039D-03  0.929420D-03  0.886456D-03  0.410794D-03
     17  0.123473D-02  0.172391D-02 -0.826827D-03  0.348063D-03 -0.135112D-02
     18 -0.178809D-03  0.869703D-03 -0.471049D-03 -0.108204D-03  0.494254D-04
     19  0.201972D-03  0.111314D-02 -0.578771D-03 -0.679252D-03 -0.507797D-03
     20  0.159607D-03 -0.991024D-03  0.364351D-02  0.144052D-02  0.290643D-02
     21  0.922941D-03  0.688529D-03 -0.995543D-03  0.906235D-04 -0.759928D-03
     22  0.324974D-03 -0.504243D-03  0.165126D-03  0.145415D-03 -0.171597D-03
     23 -0.159620D-03 -0.148197D-03  0.338510D-04 -0.626311D-04  0.645385D-04
     24 -0.147628D-03  0.602047D-03 -0.148464D-03 -0.306311D-03  0.220988D-03
     25  0.274760D-04  0.194240D-03 -0.124519D-02 -0.580720D-03 -0.107130D-02
     26 -0.126657D-04 -0.982714D-04 -0.220168D-03  0.158106D-03 -0.517973D-04
     27 -0.169722D-03  0.260881D-03  0.378556D-03 -0.155993D-03  0.539021D-03
     28  0.278539D-03 -0.890155D-04 -0.607185D-05  0.215323D-03  0.112600D-03
     29  0.594475D-04  0.275982D-04 -0.167784D-03  0.106842D-03 -0.891889D-04
     30 -0.255962D-03 -0.106093D-04  0.117387D-04 -0.647009D-04 -0.837720D-04
               16            17            18            19            20 
     16  0.622571D-01
     17  0.373646D-02  0.542254D-01
     18 -0.112509D-02 -0.595022D-01  0.326445D+00
     19  0.169861D-02  0.166711D-02 -0.473351D-03  0.500119D+00
     20 -0.572941D-02  0.167721D-02  0.395190D-02 -0.766714D-02  0.554605D+00
     21  0.285766D-01  0.254975D-02 -0.970476D-02  0.329686D-01  0.268549D-03
     22 -0.533181D-02 -0.665199D-03  0.203307D-02 -0.500388D-01  0.593927D-02
     23 -0.440719D-03  0.900727D-03  0.897395D-04  0.587850D-02 -0.577923D-01
     24  0.261602D-02  0.138230D-03  0.554833D-03 -0.237798D-01  0.533873D-01
     25  0.902041D-03 -0.686461D-03  0.863378D-04 -0.113447D+00  0.112982D+00
     26  0.552699D-03  0.216284D-03 -0.513585D-03  0.114135D+00 -0.236827D+00
     27 -0.661125D-03 -0.194128D-03  0.263920D-03 -0.135523D-01  0.242170D-01
     28  0.925528D-03  0.393074D-03  0.871912D-03 -0.114870D+00 -0.980522D-01
     29 -0.219813D-03  0.111342D-03  0.421617D-03 -0.987935D-01 -0.186679D+00
     30 -0.988530D-03 -0.257173D-03 -0.925115D-04 -0.578230D-01 -0.841814D-01
               21            22            23            24            25 
     21  0.563747D+00
     22 -0.278030D-01  0.536781D-01
     23  0.531706D-01 -0.668060D-02  0.576919D-01
     24 -0.297257D+00  0.250954D-01 -0.588635D-01  0.323990D+00
     25 -0.138377D-01 -0.190441D-02  0.198673D-02 -0.439693D-03  0.126032D+00
     26  0.239484D-01  0.207073D-02 -0.500511D-02  0.558536D-03 -0.125785D+00
     27 -0.510743D-01 -0.159971D-01  0.273112D-01 -0.187242D-02  0.128245D-01
     28 -0.570074D-01 -0.190639D-02 -0.111348D-02 -0.934626D-03  0.959803D-02
     29 -0.840423D-01  0.492208D-02  0.588316D-02  0.271078D-02 -0.146543D-01
     30 -0.981485D-01 -0.157506D-01 -0.236531D-01 -0.117314D-01  0.260013D-02
               26            27            28            29            30 
     26  0.255462D+00
     27 -0.260045D-01  0.502147D-01
     28  0.119121D-01  0.811556D-02  0.125870D+00
     29 -0.199837D-01 -0.122900D-01  0.109551D+00  0.201296D+00
     30  0.299490D-02  0.964718D-03  0.635689D-01  0.933849D-01  0.101614D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.476632D+02 -0.252040D+01  0.872901D+00
      2  -0.252040D+01  0.392316D+02 -0.690495D+00
      3   0.872901D+00 -0.690495D+00  0.390126D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.761143D+00  0.826973D+00 -0.616500D+01
      2  -0.427175D+01  0.778535D+00  0.727667D+01
      3   0.376438D+01 -0.657478D+01 -0.142794D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.238244D+02 -0.227044D+00  0.308865D+01
      2  -0.140619D+02  0.507995D+01 -0.732907D+01
      3  -0.976254D+01 -0.485291D+01  0.424041D+01
      4   0.178357D+02  0.777869D+01 -0.118362D+01
      5   0.479587D+01  0.168355D+00  0.136574D+02
      6  -0.192002D+01 -0.474499D+01  0.140559D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393529D+01  0.127854D+01 -0.437154D+01 -0.435781D+00 -0.101622D+01
      2   0.127854D+01 -0.525748D+00  0.192790D+01 -0.101622D+01  0.495128D+01
      3  -0.437154D+01  0.192790D+01 -0.211524D+00  0.973067D+00  0.235210D+01
                 6             7             8             9            10 
      1   0.973067D+00 -0.653568D+01  0.207722D+01  0.442787D+00  0.653267D+01
      2   0.235210D+01  0.207722D+01  0.226766D+01 -0.255512D+01 -0.120732D+01
      3  -0.271505D+01  0.442787D+00 -0.255512D+01  0.157910D+01  0.339579D+01
                11            12            13            14            15 
      1  -0.120732D+01  0.339579D+01 -0.171696D+01  0.464115D+01  0.373163D+00
      2   0.243895D+01  0.156197D+00  0.464115D+01 -0.528030D+00  0.132520D+01
      3   0.156197D+00 -0.302634D+00  0.373163D+00  0.132520D+01  0.123329D+01
                16            17            18            19            20 
      1   0.450390D+01  0.701867D+00  0.798670D+00 -0.391444D+01 -0.370582D+01
      2   0.701867D+00  0.994009D+00  0.200651D+01 -0.370582D+01 -0.745779D+00
      3   0.798670D+00  0.200651D+01 -0.770227D+01 -0.127868D+01 -0.355161D+00
                21            22            23            24            25 
      1  -0.127868D+01 -0.155199D+01 -0.276594D+01 -0.738619D+00 -0.163806D+01
      2  -0.355161D+00 -0.276594D+01 -0.877143D+01 -0.187223D+01 -0.124704D+01
      3   0.357740D+00 -0.738619D+00 -0.187223D+01 -0.299663D+00 -0.139074D+01
                26            27            28            29            30 
      1  -0.124704D+01 -0.139074D+01 -0.318409D+00  0.995454D+00 -0.351556D+00
      2  -0.135680D+01 -0.232836D+01  0.995454D+00 -0.282973D-01 -0.473667D+00
      3  -0.232836D+01 -0.118889D+01 -0.351556D+00 -0.473667D+00  0.333428D+00
                31            32            33            34            35 
      1   0.135846D+01 -0.770948D+00  0.377985D+00 -0.996988D+00  0.297917D+00
      2  -0.770948D+00  0.350931D+01 -0.282465D+01  0.297917D+00 -0.328406D+01
      3   0.377985D+00 -0.282465D+01  0.279566D+01 -0.795309D+00  0.317830D+01
                36            37            38            39            40 
      1  -0.795309D+00 -0.679734D+01  0.224044D+01  0.281228D+01  0.200372D+01
      2   0.317830D+01  0.224044D+01 -0.191537D+01 -0.956167D+00 -0.191052D+01
      3  -0.521995D+01  0.281228D+01 -0.956167D+00 -0.220816D+01 -0.682709D+00
                41            42            43            44            45 
      1  -0.191052D+01 -0.682709D+00  0.424446D+01 -0.133149D+01 -0.259654D+01
      2   0.138424D+01  0.552808D+00 -0.133149D+01  0.839193D+00  0.152641D+01
      3   0.552808D+00  0.954374D+00 -0.259654D+01  0.152641D+01  0.263356D+01
                46            47            48            49            50 
      1   0.789393D+00 -0.137557D+00  0.125609D+01 -0.168732D+00 -0.372790D+00
      2  -0.137557D+00 -0.138496D+00 -0.473649D-01 -0.372790D+00 -0.728964D+00
      3   0.125609D+01 -0.473649D-01  0.255141D+00 -0.355707D-01  0.121390D+01
                51            52            53            54            55 
      1  -0.355707D-01  0.157223D+01 -0.207558D+00  0.433992D+00 -0.159623D+01
      2   0.121390D+01 -0.207558D+00  0.132407D+01 -0.155624D+01  0.900658D+00
      3  -0.150088D+01  0.433992D+00 -0.155624D+01  0.105167D+02 -0.255742D+01
                56            57            58            59            60 
      1   0.900658D+00 -0.255742D+01  0.124036D+01 -0.606122D+01 -0.134574D+01
      2  -0.499851D+01 -0.116504D+01 -0.606122D+01  0.151061D+01 -0.172635D+01
      3  -0.116504D+01  0.626013D+00 -0.134574D+01 -0.172635D+01 -0.252914D+01
                61            62            63            64            65 
      1  -0.276081D+01 -0.122209D+01 -0.355562D+00 -0.126808D-01  0.140491D+00
      2  -0.122209D+01 -0.198221D+01 -0.227400D+01  0.140491D+00  0.412859D+00
      3  -0.355562D+00 -0.227400D+01  0.642190D+01 -0.708545D+00  0.152453D+00
                66            67            68            69            70 
      1  -0.708545D+00  0.357894D+00  0.848206D+00 -0.754068D-01 -0.185926D+01
      2   0.152453D+00  0.848206D+00  0.499629D+00 -0.978302D+00 -0.676234D-01
      3  -0.447487D+00 -0.754068D-01 -0.978302D+00  0.128194D+01  0.110348D+01
                71            72            73            74            75 
      1  -0.676234D-01  0.110348D+01  0.468714D+01 -0.269032D+01  0.406305D+00
      2  -0.131124D+01  0.120954D+01 -0.269032D+01  0.306499D+01 -0.739009D-02
      3   0.120954D+01 -0.814613D+01  0.406305D+00 -0.739009D-02  0.634378D+00
                76            77            78            79            80 
      1  -0.452368D+01  0.404467D+01  0.151665D+00  0.959541D+00 -0.761087D-01
      2   0.404467D+01 -0.591690D+01  0.409080D+00 -0.761087D-01  0.686637D+00
      3   0.151665D+00  0.409080D+00 -0.101321D+01  0.964113D+00 -0.751277D+00
                81            82            83            84            85 
      1   0.964113D+00  0.456517D+01  0.218543D+01  0.139728D+01  0.343670D+01
      2  -0.751277D+00  0.218543D+01  0.243540D+01  0.768238D+00  0.336362D+01
      3  -0.302065D+00  0.139728D+01  0.768238D+00  0.963102D+00  0.100217D+01
                86            87            88            89            90 
      1   0.336362D+01  0.100217D+01  0.251066D+01  0.107491D+01  0.139510D+01
      2   0.409026D+01  0.154844D+01  0.107491D+01  0.182273D+01  0.154424D+01
      3   0.154844D+01  0.179266D+01  0.139510D+01  0.154424D+01  0.140803D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.637037D+01 -0.242611D+01 -0.129808D+00 -0.237763D+01 -0.119076D+01
      2   0.689772D+01 -0.397848D+01  0.220076D+01 -0.227775D+01 -0.214901D+01
      3   0.903051D+00 -0.415706D+01 -0.124537D+01  0.124635D+01  0.294993D+01
                 6             7             8             9            10 
      1   0.192034D+01 -0.322349D+01  0.570033D+01 -0.199818D+01 -0.235968D+01
      2   0.413833D+01 -0.224871D+01  0.457329D+01 -0.127448D+00 -0.264663D+01
      3   0.441212D+01 -0.354465D+01  0.461220D+01 -0.268354D+01  0.108863D+01
                11            12            13            14            15 
      1   0.237277D+01 -0.278885D+00  0.241407D+01 -0.456657D+00 -0.241157D+01
      2   0.109020D+01 -0.137987D+01  0.161452D+01 -0.195947D+01 -0.270312D+00
      3  -0.199219D+01  0.403684D+00  0.596059D+01  0.688482D+00 -0.190835D+00
                16            17            18            19            20 
      1   0.763995D+00  0.624871D+00  0.176529D+01 -0.167910D+01 -0.709365D+00
      2  -0.901590D+01  0.586188D+00 -0.462219D+01  0.174917D+01  0.123384D+01
      3   0.127560D+01 -0.113375D+01 -0.390676D+00  0.152409D+01 -0.278992D+01
                21            22            23            24            25 
      1  -0.244043D+01 -0.113715D+01  0.227473D+01 -0.778414D+01 -0.122334D+01
      2   0.432937D+01 -0.125823D+01  0.247967D+01  0.235299D+01 -0.268683D+01
      3   0.268184D+00  0.793294D+01 -0.926847D+01 -0.160012D+01  0.249567D+01
                26            27            28            29            30 
      1   0.283914D+01 -0.222416D+01  0.142700D+00  0.605535D+00 -0.359357D+00
      2   0.188671D+01  0.212103D+01  0.977240D+00  0.450839D+00  0.133649D+00
      3  -0.878658D+00 -0.465684D+00  0.115770D+01  0.242248D+00 -0.644655D+00
                31            32            33            34            35 
      1  -0.333637D+00  0.786184D+00 -0.353250D+01  0.400022D+00 -0.361495D+00
      2   0.765321D+00  0.344030D+01 -0.343367D+01 -0.189191D+01 -0.380164D+01
      3   0.188971D+01  0.401302D+01 -0.303131D+01 -0.166627D+01 -0.377660D+01
                36            37            38            39            40 
      1   0.592637D+01 -0.296197D+01 -0.333340D+00  0.278921D+01  0.506462D+00
      2   0.634751D+01 -0.227580D+01  0.118052D+01  0.476773D+01  0.612618D+00
      3   0.388611D+01 -0.326756D+01 -0.285956D+01  0.120642D+01  0.257141D+00
                41            42            43            44            45 
      1  -0.349085D+00 -0.169122D+01  0.269871D+01 -0.271090D+00 -0.307260D+01
      2  -0.904326D+00 -0.197181D+01  0.132341D+01 -0.182586D+01 -0.426377D+01
      3   0.926634D+00  0.285486D+00  0.239617D+01  0.839861D+00 -0.430505D+00
                46            47            48            49            50 
      1   0.849579D-02  0.123044D+00  0.568262D+00 -0.399685D+00 -0.965821D+00
      2  -0.917203D-01 -0.153629D-01  0.793607D-01  0.775568D+00  0.880687D+00
      3   0.602156D-01 -0.962606D+00  0.611228D-01  0.900077D+00 -0.873077D-01
                51            52            53            54            55 
      1   0.411402D+00 -0.417363D-01  0.427394D+01 -0.109643D+01  0.539971D+00
      2  -0.305736D+00 -0.434109D+01 -0.160868D+00  0.268576D+01 -0.508449D+01
      3  -0.331045D+00 -0.649153D+00 -0.273808D+00 -0.177707D+00 -0.112708D+01
                56            57            58            59            60 
      1   0.107425D+01  0.693268D-01  0.200570D+01 -0.193544D+00 -0.841250D+00
      2  -0.170851D+01  0.286508D+01 -0.226587D+01 -0.403485D+01 -0.438921D+01
      3   0.706171D+01  0.194049D+01  0.141840D+02 -0.350415D+01  0.275025D+01
                61            62            63            64            65 
      1  -0.182318D+00  0.276914D+01  0.327900D+00  0.473817D-01  0.169262D+00
      2  -0.435780D+01 -0.390749D+01  0.972612D+01 -0.182550D+01  0.172001D+00
      3   0.137266D+01  0.321753D+01  0.412439D+01 -0.372353D+00 -0.112601D+01
                66            67            68            69            70 
      1  -0.582534D-01  0.408806D-01 -0.378547D+00 -0.874144D+00 -0.225811D+00
      2   0.527410D+00  0.491369D+00 -0.134260D+01  0.258011D+01 -0.175184D+01
      3  -0.340381D+00 -0.154376D+00 -0.655076D+00  0.162151D+01 -0.578253D+00
                71            72            73            74            75 
      1   0.280242D+01  0.914227D+00  0.501116D+00 -0.678793D+00  0.837892D+00
      2   0.247268D+01 -0.142844D+02  0.661055D+00 -0.336346D+00  0.270555D+01
      3   0.242658D+01 -0.234928D+01  0.434521D+01 -0.717885D+01  0.112730D-01
                76            77            78            79            80 
      1  -0.670146D+00  0.107767D+01 -0.225859D+01  0.256301D+00  0.675959D+00
      2   0.168904D+00  0.969114D+00 -0.296614D+01  0.562993D+00 -0.109946D+01
      3  -0.475088D+01  0.112256D+02 -0.769639D+00 -0.216702D+00 -0.129033D+01
                81            82            83            84            85 
      1   0.107890D+00 -0.609274D+00 -0.197264D+00 -0.997956D+00 -0.484764D+00
      2  -0.622998D+00  0.207487D+01  0.156676D+01  0.327731D+01  0.137354D+01
      3   0.926656D+00 -0.305322D+01 -0.585223D+01 -0.131711D+01 -0.363503D+01
                86            87            88            89            90 
      1  -0.259619D+00 -0.244467D+01 -0.481009D+00  0.561253D+00 -0.993977D+00
      2   0.262047D+01  0.426544D+01  0.577150D+00  0.253662D+01  0.260771D+01
      3  -0.754883D+01 -0.271370D+01 -0.885080D+00 -0.374302D+01 -0.243977D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.136159D+00  0.213564D+00  0.990524D+01  0.720436D+01  0.686768D+00
      2   0.134681D+01 -0.182298D+00 -0.542056D+01 -0.651366D+01  0.461274D+01
      3  -0.148297D+01 -0.312657D-01 -0.448469D+01 -0.690697D+00 -0.529951D+01
      4   0.171718D+01 -0.809054D+00 -0.903515D+01 -0.172706D+01 -0.618767D+01
      5   0.168535D+02 -0.699624D+01 -0.230356D+01 -0.435026D+01 -0.220381D+01
      6  -0.736290D+01  0.300590D+01  0.317993D+01  0.349468D+01  0.854495D+01
                 6             7             8             9            10 
      1  -0.102841D+02  0.135118D+02 -0.954159D+01  0.232632D+01 -0.101306D+02
      2   0.637430D+01 -0.670266D+01  0.711742D+01 -0.228170D+01  0.263370D+01
      3   0.390977D+01 -0.680918D+01  0.242418D+01 -0.446174D-01  0.749693D+01
      4  -0.786284D-01 -0.781576D+01 -0.165376D+01  0.562758D+01  0.655429D+00
      5   0.105409D+02 -0.324110D+01  0.592635D+01  0.801038D+00  0.501821D+00
      6  -0.111064D+02  0.284768D+01 -0.790328D+01  0.524576D+01  0.105924D+01
                11            12            13            14            15 
      1  -0.175636D+01  0.399531D+01  0.232449D+00 -0.109855D+01  0.566455D+00
      2   0.106511D+01  0.194383D+00 -0.963966D+00  0.156416D+01 -0.185541D+01
      3   0.691252D+00 -0.418969D+01  0.731517D+00 -0.465612D+00  0.128895D+01
      4  -0.563412D+01  0.195815D+01  0.531132D-01 -0.233519D+01 -0.103086D+01
      5   0.105752D+01 -0.759391D+01  0.186346D+01 -0.573660D+00 -0.117887D+00
      6   0.623730D+00  0.981121D+00  0.144127D+01 -0.412635D+00  0.310105D+01
                16            17            18            19            20 
      1   0.627190D+00 -0.293531D+01  0.134694D+02  0.624893D+01  0.583972D+01
      2  -0.104673D+01  0.392858D+00  0.686698D+01  0.117543D+00 -0.188090D+01
      3   0.419537D+00  0.254245D+01 -0.203364D+02 -0.636647D+01 -0.395882D+01
      4   0.161522D+01 -0.654792D+00  0.169020D+01  0.106340D+02  0.133641D+02
      5   0.812734D+00  0.831189D+00 -0.537271D+01  0.177579D+01  0.291948D+01
      6   0.648971D+00 -0.348068D-01  0.519790D+01  0.325241D+01  0.971441D+00
                21            22            23            24            25 
      1  -0.188786D+01  0.804138D+00 -0.108450D+02 -0.162028D+01  0.412684D+00
      2  -0.192841D+01  0.288575D+01  0.186139D+02 -0.154206D+01 -0.352004D+00
      3   0.381627D+01 -0.368989D+01 -0.776893D+01  0.316234D+01 -0.606802D-01
      4   0.329924D+01  0.134406D+02  0.185971D+02  0.162601D+01  0.272419D+01
      5   0.829434D+01  0.376647D+01  0.985562D+00  0.981102D+00  0.545732D+01
      6   0.532182D+00 -0.128854D+01  0.319631D+01  0.115818D+02  0.255245D+01
                26            27            28            29            30 
      1  -0.171046D+01 -0.692255D+01  0.867020D+00 -0.283471D+01  0.138099D+01
      2  -0.640075D-01 -0.402174D+00 -0.333315D+00  0.154638D+01 -0.382194D+00
      3   0.177447D+01  0.732473D+01 -0.533705D+00  0.128833D+01 -0.998793D+00
      4   0.347650D+01  0.517680D+01 -0.224537D+01  0.362505D+01 -0.136540D+01
      5   0.475928D+01  0.471981D+01 -0.337725D+00 -0.825042D+00  0.364930D+01
      6   0.959518D+01  0.589789D+01 -0.200952D+01 -0.117508D+01  0.235803D+00
                31            32            33            34            35 
      1  -0.194100D+01 -0.848009D+01  0.666111D+01  0.539793D+00  0.823690D+01
      2   0.824036D+00  0.101042D+02 -0.560413D+01 -0.678179D+00 -0.601922D+01
      3   0.111697D+01 -0.162410D+01 -0.105698D+01  0.138386D+00 -0.221769D+01
      4   0.516744D+01 -0.631326D+01  0.474829D+01 -0.317689D+01  0.564688D+01
      5  -0.244575D+01  0.568323D+01 -0.627969D+01  0.528366D+01 -0.671069D+01
      6   0.129499D+01 -0.115601D+02  0.110746D+02 -0.229191D+01  0.125673D+02
                36            37            38            39            40 
      1  -0.102410D+02  0.257901D+02 -0.514523D+01 -0.808360D+01 -0.461112D+01
      2   0.424174D+00 -0.126155D+02  0.345968D+00  0.514500D+01 -0.184430D+00
      3   0.981684D+01 -0.131746D+02  0.479926D+01  0.293859D+01  0.479555D+01
      4  -0.548076D+01 -0.156648D+02  0.107339D+02  0.607413D+01  0.103438D+02
      5   0.113194D+02 -0.146267D+02  0.483150D+01  0.111754D+02  0.315708D+01
      6  -0.153319D+02  0.668900D+01 -0.348074D+01 -0.524603D+01 -0.345698D+01
                41            42            43            44            45 
      1   0.303996D+01  0.105376D+01 -0.112057D+02  0.271714D+01  0.348742D+01
      2   0.891466D+00  0.447019D+00  0.736010D+01 -0.899399D+00 -0.541405D+01
      3  -0.393143D+01 -0.150077D+01  0.384563D+01 -0.181774D+01  0.192663D+01
      4  -0.696939D+01 -0.388791D+01  0.806935D+01 -0.520364D+01 -0.657659D+01
      5  -0.345670D+01 -0.361008D+01  0.134135D+02 -0.583773D+01 -0.116961D+02
      6   0.266296D+01  0.483710D+01 -0.573570D+01  0.553416D+01  0.521856D+01
                46            47            48            49            50 
      1   0.158437D+00 -0.223255D+00  0.335008D+00 -0.195223D+00 -0.434015D+01
      2  -0.317295D+01  0.392228D-01 -0.118675D+00  0.368379D+00  0.502075D+00
      3   0.301451D+01  0.184032D+00 -0.216334D+00 -0.173156D+00  0.383808D+01
      4  -0.272532D+00  0.236781D+01 -0.860348D+00  0.162871D+01 -0.444712D+00
      5   0.777349D+00 -0.109427D+01  0.814713D+01 -0.124520D+01  0.110473D+01
      6  -0.104285D+01  0.867117D-03  0.121770D+00 -0.944459D-01 -0.310431D+01
                51            52            53            54            55 
      1   0.420527D+01 -0.595237D+00  0.386905D+01 -0.243167D+02  0.200018D+01
      2   0.549704D+00 -0.115153D+01  0.401640D+00 -0.141536D+02 -0.483703D+01
      3  -0.475498D+01  0.174677D+01 -0.427069D+01  0.384703D+02  0.283684D+01
      4   0.675894D+00 -0.425739D+00  0.178277D+00 -0.617910D+00  0.304650D+01
      5  -0.848167D+00  0.560945D+01 -0.698711D+00  0.388459D+01 -0.108144D+02
      6   0.741072D+01 -0.791506D+00  0.667037D+01 -0.642344D+01 -0.272768D+01
                56            57            58            59            60 
      1   0.249288D+01 -0.821677D+01  0.213518D+01 -0.153812D+02 -0.405917D+01
      2  -0.266176D-01  0.317765D+01  0.119101D+00  0.223053D+01  0.277627D+00
      3  -0.246626D+01  0.503912D+01 -0.225428D+01  0.131507D+02  0.378155D+01
      4  -0.192358D+02 -0.479421D+01 -0.260586D+02  0.547202D+01 -0.798163D+01
      5  -0.437523D+01  0.136751D+01 -0.607137D+01 -0.745070D+01 -0.782638D+01
      6  -0.121108D+01 -0.567885D+00 -0.198987D+01 -0.326420D+01 -0.211844D+01
                61            62            63            64            65 
      1  -0.976027D+01 -0.432097D+01  0.712151D+01  0.112471D+00  0.434419D+00
      2   0.240948D+01 -0.613883D+00  0.192515D+01 -0.170896D+01 -0.461746D+00
      3   0.735079D+01  0.493485D+01 -0.904665D+01  0.159649D+01  0.273277D-01
      4  -0.616710D+01 -0.828293D+01 -0.774034D+01  0.181414D+00  0.300575D+01
      5  -0.103528D+01 -0.733879D+01  0.142882D+02 -0.137194D+01 -0.326586D+00
      6  -0.169301D+01 -0.145392D+01  0.217273D+01 -0.773848D+00  0.617416D+00
                66            67            68            69            70 
      1  -0.312067D+01  0.885948D+00 -0.794913D+00  0.239721D+01 -0.436112D+01
      2   0.149152D+01 -0.784719D+00  0.784437D+00 -0.138628D+00  0.404014D+01
      3   0.162915D+01 -0.101228D+00  0.104752D-01 -0.225858D+01  0.320980D+00
      4  -0.562876D+00  0.462794D+01  0.128387D+01 -0.249354D+01 -0.113314D+01
      5   0.482102D+01 -0.677825D+00 -0.224776D+01  0.426155D+01  0.741358D+01
      6   0.334861D+00 -0.284652D+00 -0.204107D+01  0.577900D+01  0.954733D+00
                71            72            73            74            75 
      1   0.253962D+01 -0.124020D+02  0.198144D+02 -0.105354D+02  0.147051D+01
      2  -0.248966D+00 -0.965031D+01 -0.665027D+01  0.290464D+01 -0.514712D+00
      3  -0.229065D+01  0.220523D+02 -0.131641D+02  0.763073D+01 -0.955801D+00
      4  -0.412843D+01  0.445534D+01 -0.147468D+02  0.168095D+02 -0.222303D+00
      5   0.387172D+01 -0.239939D+02  0.113227D+01  0.145338D-02  0.476783D+01
      6   0.551557D+01 -0.555847D+01  0.407627D+00 -0.378546D+00 -0.104595D+01
                76            77            78            79            80 
      1  -0.136156D+02  0.639546D+01 -0.137949D+00  0.270485D+01  0.410619D+00
      2   0.249134D+01  0.662381D+01 -0.251092D+00 -0.851982D+00 -0.391292D+00
      3   0.111242D+02 -0.130193D+02  0.389041D+00 -0.185287D+01 -0.193276D-01
      4   0.210260D+02 -0.251116D+02  0.206520D+01 -0.405163D+00  0.264061D+01
      5   0.556710D+00  0.170313D+01 -0.504398D+01  0.576732D+01 -0.396814D+01
      6  -0.580319D+00  0.103554D+01  0.385744D+01 -0.195431D+01  0.411090D+01
                81            82            83            84            85 
      1   0.636584D+00  0.185539D+02  0.815381D+01  0.538571D+01  0.107811D+02
      2  -0.957714D+00 -0.655547D+01 -0.166948D+01 -0.222595D+01 -0.160236D+01
      3   0.321130D+00 -0.119984D+02 -0.648433D+01 -0.315976D+01 -0.917875D+01
      4  -0.335794D+01  0.141746D+02  0.150045D+02  0.481828D+01  0.191611D+02
      5  -0.274926D+00  0.698294D+01  0.411691D+01  0.668751D+01  0.544668D+01
      6  -0.121524D+01  0.250852D+01  0.102609D+01  0.147420D+01  0.233677D+01
                86            87            88            89            90 
      1   0.466331D+01  0.167800D+01  0.754407D+01  0.119532D+01  0.832610D+00
      2   0.638151D+01  0.822011D+00 -0.360857D+01  0.785180D+00 -0.236514D+01
      3  -0.110448D+02 -0.250001D+01 -0.393550D+01 -0.198050D+01  0.153253D+01
      4   0.194884D+02  0.723007D+01  0.671504D+01  0.798129D+01  0.682363D+01
      5   0.645597D+01  0.794259D+01  0.818203D+01  0.664512D+01  0.719756D+01
      6   0.425202D+01  0.459578D+01  0.294222D+01  0.463014D+01  0.410570D+01
 Leave Link  716 at Sat Jul 10 01:39:47 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.476632D+02 -0.252040D+01  0.872901D+00
      2  -0.252040D+01  0.392316D+02 -0.690495D+00
      3   0.872901D+00 -0.690495D+00  0.390126D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.761143D+00  0.826973D+00 -0.616500D+01
      2  -0.427175D+01  0.778535D+00  0.727667D+01
      3   0.376438D+01 -0.657478D+01 -0.142794D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.238244D+02 -0.227044D+00  0.308865D+01
      2  -0.140619D+02  0.507995D+01 -0.732907D+01
      3  -0.976254D+01 -0.485291D+01  0.424041D+01
      4   0.178357D+02  0.777869D+01 -0.118362D+01
      5   0.479587D+01  0.168355D+00  0.136574D+02
      6  -0.192002D+01 -0.474499D+01  0.140559D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393529D+01  0.127854D+01 -0.437154D+01 -0.435781D+00 -0.101622D+01
      2   0.127854D+01 -0.525748D+00  0.192790D+01 -0.101622D+01  0.495128D+01
      3  -0.437154D+01  0.192790D+01 -0.211524D+00  0.973067D+00  0.235210D+01
                 6             7             8             9            10 
      1   0.973067D+00 -0.653568D+01  0.207722D+01  0.442787D+00  0.653267D+01
      2   0.235210D+01  0.207722D+01  0.226766D+01 -0.255512D+01 -0.120732D+01
      3  -0.271505D+01  0.442787D+00 -0.255512D+01  0.157910D+01  0.339579D+01
                11            12            13            14            15 
      1  -0.120732D+01  0.339579D+01 -0.171696D+01  0.464115D+01  0.373163D+00
      2   0.243895D+01  0.156197D+00  0.464115D+01 -0.528030D+00  0.132520D+01
      3   0.156197D+00 -0.302634D+00  0.373163D+00  0.132520D+01  0.123329D+01
                16            17            18            19            20 
      1   0.450390D+01  0.701867D+00  0.798670D+00 -0.391444D+01 -0.370582D+01
      2   0.701867D+00  0.994009D+00  0.200651D+01 -0.370582D+01 -0.745779D+00
      3   0.798670D+00  0.200651D+01 -0.770227D+01 -0.127868D+01 -0.355161D+00
                21            22            23            24            25 
      1  -0.127868D+01 -0.155199D+01 -0.276594D+01 -0.738619D+00 -0.163806D+01
      2  -0.355161D+00 -0.276594D+01 -0.877143D+01 -0.187223D+01 -0.124704D+01
      3   0.357740D+00 -0.738619D+00 -0.187223D+01 -0.299663D+00 -0.139074D+01
                26            27            28            29            30 
      1  -0.124704D+01 -0.139074D+01 -0.318409D+00  0.995454D+00 -0.351556D+00
      2  -0.135680D+01 -0.232836D+01  0.995454D+00 -0.282973D-01 -0.473667D+00
      3  -0.232836D+01 -0.118889D+01 -0.351556D+00 -0.473667D+00  0.333428D+00
                31            32            33            34            35 
      1   0.135846D+01 -0.770948D+00  0.377985D+00 -0.996988D+00  0.297917D+00
      2  -0.770948D+00  0.350931D+01 -0.282465D+01  0.297917D+00 -0.328406D+01
      3   0.377985D+00 -0.282465D+01  0.279566D+01 -0.795309D+00  0.317830D+01
                36            37            38            39            40 
      1  -0.795309D+00 -0.679734D+01  0.224044D+01  0.281228D+01  0.200372D+01
      2   0.317830D+01  0.224044D+01 -0.191537D+01 -0.956167D+00 -0.191052D+01
      3  -0.521995D+01  0.281228D+01 -0.956167D+00 -0.220816D+01 -0.682709D+00
                41            42            43            44            45 
      1  -0.191052D+01 -0.682709D+00  0.424446D+01 -0.133149D+01 -0.259654D+01
      2   0.138424D+01  0.552808D+00 -0.133149D+01  0.839193D+00  0.152641D+01
      3   0.552808D+00  0.954374D+00 -0.259654D+01  0.152641D+01  0.263356D+01
                46            47            48            49            50 
      1   0.789393D+00 -0.137557D+00  0.125609D+01 -0.168732D+00 -0.372790D+00
      2  -0.137557D+00 -0.138496D+00 -0.473649D-01 -0.372790D+00 -0.728964D+00
      3   0.125609D+01 -0.473649D-01  0.255141D+00 -0.355707D-01  0.121390D+01
                51            52            53            54            55 
      1  -0.355707D-01  0.157223D+01 -0.207558D+00  0.433992D+00 -0.159623D+01
      2   0.121390D+01 -0.207558D+00  0.132407D+01 -0.155624D+01  0.900658D+00
      3  -0.150088D+01  0.433992D+00 -0.155624D+01  0.105167D+02 -0.255742D+01
                56            57            58            59            60 
      1   0.900658D+00 -0.255742D+01  0.124036D+01 -0.606122D+01 -0.134574D+01
      2  -0.499851D+01 -0.116504D+01 -0.606122D+01  0.151061D+01 -0.172635D+01
      3  -0.116504D+01  0.626013D+00 -0.134574D+01 -0.172635D+01 -0.252914D+01
                61            62            63            64            65 
      1  -0.276081D+01 -0.122209D+01 -0.355562D+00 -0.126808D-01  0.140491D+00
      2  -0.122209D+01 -0.198221D+01 -0.227400D+01  0.140491D+00  0.412859D+00
      3  -0.355562D+00 -0.227400D+01  0.642190D+01 -0.708545D+00  0.152453D+00
                66            67            68            69            70 
      1  -0.708545D+00  0.357894D+00  0.848206D+00 -0.754068D-01 -0.185926D+01
      2   0.152453D+00  0.848206D+00  0.499629D+00 -0.978302D+00 -0.676234D-01
      3  -0.447487D+00 -0.754068D-01 -0.978302D+00  0.128194D+01  0.110348D+01
                71            72            73            74            75 
      1  -0.676234D-01  0.110348D+01  0.468714D+01 -0.269032D+01  0.406305D+00
      2  -0.131124D+01  0.120954D+01 -0.269032D+01  0.306499D+01 -0.739009D-02
      3   0.120954D+01 -0.814613D+01  0.406305D+00 -0.739009D-02  0.634378D+00
                76            77            78            79            80 
      1  -0.452368D+01  0.404467D+01  0.151665D+00  0.959541D+00 -0.761087D-01
      2   0.404467D+01 -0.591690D+01  0.409080D+00 -0.761087D-01  0.686637D+00
      3   0.151665D+00  0.409080D+00 -0.101321D+01  0.964113D+00 -0.751277D+00
                81            82            83            84            85 
      1   0.964113D+00  0.456517D+01  0.218543D+01  0.139728D+01  0.343670D+01
      2  -0.751277D+00  0.218543D+01  0.243540D+01  0.768238D+00  0.336362D+01
      3  -0.302065D+00  0.139728D+01  0.768238D+00  0.963102D+00  0.100217D+01
                86            87            88            89            90 
      1   0.336362D+01  0.100217D+01  0.251066D+01  0.107491D+01  0.139510D+01
      2   0.409026D+01  0.154844D+01  0.107491D+01  0.182273D+01  0.154424D+01
      3   0.154844D+01  0.179266D+01  0.139510D+01  0.154424D+01  0.140803D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.637037D+01 -0.242611D+01 -0.129808D+00 -0.237763D+01 -0.119076D+01
      2   0.689772D+01 -0.397848D+01  0.220076D+01 -0.227775D+01 -0.214901D+01
      3   0.903051D+00 -0.415706D+01 -0.124537D+01  0.124635D+01  0.294993D+01
                 6             7             8             9            10 
      1   0.192034D+01 -0.322349D+01  0.570033D+01 -0.199818D+01 -0.235968D+01
      2   0.413833D+01 -0.224871D+01  0.457329D+01 -0.127448D+00 -0.264663D+01
      3   0.441212D+01 -0.354465D+01  0.461220D+01 -0.268354D+01  0.108863D+01
                11            12            13            14            15 
      1   0.237277D+01 -0.278885D+00  0.241407D+01 -0.456657D+00 -0.241157D+01
      2   0.109020D+01 -0.137987D+01  0.161452D+01 -0.195947D+01 -0.270312D+00
      3  -0.199219D+01  0.403684D+00  0.596059D+01  0.688482D+00 -0.190835D+00
                16            17            18            19            20 
      1   0.763995D+00  0.624871D+00  0.176529D+01 -0.167910D+01 -0.709365D+00
      2  -0.901590D+01  0.586188D+00 -0.462219D+01  0.174917D+01  0.123384D+01
      3   0.127560D+01 -0.113375D+01 -0.390676D+00  0.152409D+01 -0.278992D+01
                21            22            23            24            25 
      1  -0.244043D+01 -0.113715D+01  0.227473D+01 -0.778414D+01 -0.122334D+01
      2   0.432937D+01 -0.125823D+01  0.247967D+01  0.235299D+01 -0.268683D+01
      3   0.268184D+00  0.793294D+01 -0.926847D+01 -0.160012D+01  0.249567D+01
                26            27            28            29            30 
      1   0.283914D+01 -0.222416D+01  0.142700D+00  0.605535D+00 -0.359357D+00
      2   0.188671D+01  0.212103D+01  0.977240D+00  0.450839D+00  0.133649D+00
      3  -0.878658D+00 -0.465684D+00  0.115770D+01  0.242248D+00 -0.644655D+00
                31            32            33            34            35 
      1  -0.333637D+00  0.786184D+00 -0.353250D+01  0.400022D+00 -0.361495D+00
      2   0.765321D+00  0.344030D+01 -0.343367D+01 -0.189191D+01 -0.380164D+01
      3   0.188971D+01  0.401302D+01 -0.303131D+01 -0.166627D+01 -0.377660D+01
                36            37            38            39            40 
      1   0.592637D+01 -0.296197D+01 -0.333340D+00  0.278921D+01  0.506462D+00
      2   0.634751D+01 -0.227580D+01  0.118052D+01  0.476773D+01  0.612618D+00
      3   0.388611D+01 -0.326756D+01 -0.285956D+01  0.120642D+01  0.257141D+00
                41            42            43            44            45 
      1  -0.349085D+00 -0.169122D+01  0.269871D+01 -0.271090D+00 -0.307260D+01
      2  -0.904326D+00 -0.197181D+01  0.132341D+01 -0.182586D+01 -0.426377D+01
      3   0.926634D+00  0.285486D+00  0.239617D+01  0.839861D+00 -0.430505D+00
                46            47            48            49            50 
      1   0.849579D-02  0.123044D+00  0.568262D+00 -0.399685D+00 -0.965821D+00
      2  -0.917203D-01 -0.153629D-01  0.793607D-01  0.775568D+00  0.880687D+00
      3   0.602156D-01 -0.962606D+00  0.611228D-01  0.900077D+00 -0.873077D-01
                51            52            53            54            55 
      1   0.411402D+00 -0.417363D-01  0.427394D+01 -0.109643D+01  0.539971D+00
      2  -0.305736D+00 -0.434109D+01 -0.160868D+00  0.268576D+01 -0.508449D+01
      3  -0.331045D+00 -0.649153D+00 -0.273808D+00 -0.177707D+00 -0.112708D+01
                56            57            58            59            60 
      1   0.107425D+01  0.693268D-01  0.200570D+01 -0.193544D+00 -0.841250D+00
      2  -0.170851D+01  0.286508D+01 -0.226587D+01 -0.403485D+01 -0.438921D+01
      3   0.706171D+01  0.194049D+01  0.141840D+02 -0.350415D+01  0.275025D+01
                61            62            63            64            65 
      1  -0.182318D+00  0.276914D+01  0.327900D+00  0.473817D-01  0.169262D+00
      2  -0.435780D+01 -0.390749D+01  0.972612D+01 -0.182550D+01  0.172001D+00
      3   0.137266D+01  0.321753D+01  0.412439D+01 -0.372353D+00 -0.112601D+01
                66            67            68            69            70 
      1  -0.582534D-01  0.408806D-01 -0.378547D+00 -0.874144D+00 -0.225811D+00
      2   0.527410D+00  0.491369D+00 -0.134260D+01  0.258011D+01 -0.175184D+01
      3  -0.340381D+00 -0.154376D+00 -0.655076D+00  0.162151D+01 -0.578253D+00
                71            72            73            74            75 
      1   0.280242D+01  0.914227D+00  0.501116D+00 -0.678793D+00  0.837892D+00
      2   0.247268D+01 -0.142844D+02  0.661055D+00 -0.336346D+00  0.270555D+01
      3   0.242658D+01 -0.234928D+01  0.434521D+01 -0.717885D+01  0.112730D-01
                76            77            78            79            80 
      1  -0.670146D+00  0.107767D+01 -0.225859D+01  0.256301D+00  0.675959D+00
      2   0.168904D+00  0.969114D+00 -0.296614D+01  0.562993D+00 -0.109946D+01
      3  -0.475088D+01  0.112256D+02 -0.769639D+00 -0.216702D+00 -0.129033D+01
                81            82            83            84            85 
      1   0.107890D+00 -0.609274D+00 -0.197264D+00 -0.997956D+00 -0.484764D+00
      2  -0.622998D+00  0.207487D+01  0.156676D+01  0.327731D+01  0.137354D+01
      3   0.926656D+00 -0.305322D+01 -0.585223D+01 -0.131711D+01 -0.363503D+01
                86            87            88            89            90 
      1  -0.259619D+00 -0.244467D+01 -0.481009D+00  0.561253D+00 -0.993977D+00
      2   0.262047D+01  0.426544D+01  0.577150D+00  0.253662D+01  0.260771D+01
      3  -0.754883D+01 -0.271370D+01 -0.885080D+00 -0.374302D+01 -0.243977D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.136159D+00  0.213564D+00  0.990524D+01  0.720436D+01  0.686768D+00
      2   0.134681D+01 -0.182298D+00 -0.542056D+01 -0.651366D+01  0.461274D+01
      3  -0.148297D+01 -0.312657D-01 -0.448469D+01 -0.690697D+00 -0.529951D+01
      4   0.171718D+01 -0.809054D+00 -0.903515D+01 -0.172706D+01 -0.618767D+01
      5   0.168535D+02 -0.699624D+01 -0.230356D+01 -0.435026D+01 -0.220381D+01
      6  -0.736290D+01  0.300590D+01  0.317993D+01  0.349468D+01  0.854495D+01
                 6             7             8             9            10 
      1  -0.102841D+02  0.135118D+02 -0.954159D+01  0.232632D+01 -0.101306D+02
      2   0.637430D+01 -0.670266D+01  0.711742D+01 -0.228170D+01  0.263370D+01
      3   0.390977D+01 -0.680918D+01  0.242418D+01 -0.446174D-01  0.749693D+01
      4  -0.786284D-01 -0.781576D+01 -0.165376D+01  0.562758D+01  0.655429D+00
      5   0.105409D+02 -0.324110D+01  0.592635D+01  0.801038D+00  0.501821D+00
      6  -0.111064D+02  0.284768D+01 -0.790328D+01  0.524576D+01  0.105924D+01
                11            12            13            14            15 
      1  -0.175636D+01  0.399531D+01  0.232449D+00 -0.109855D+01  0.566455D+00
      2   0.106511D+01  0.194383D+00 -0.963966D+00  0.156416D+01 -0.185541D+01
      3   0.691252D+00 -0.418969D+01  0.731517D+00 -0.465612D+00  0.128895D+01
      4  -0.563412D+01  0.195815D+01  0.531132D-01 -0.233519D+01 -0.103086D+01
      5   0.105752D+01 -0.759391D+01  0.186346D+01 -0.573660D+00 -0.117887D+00
      6   0.623730D+00  0.981121D+00  0.144127D+01 -0.412635D+00  0.310105D+01
                16            17            18            19            20 
      1   0.627190D+00 -0.293531D+01  0.134694D+02  0.624893D+01  0.583972D+01
      2  -0.104673D+01  0.392858D+00  0.686698D+01  0.117543D+00 -0.188090D+01
      3   0.419537D+00  0.254245D+01 -0.203364D+02 -0.636647D+01 -0.395882D+01
      4   0.161522D+01 -0.654792D+00  0.169020D+01  0.106340D+02  0.133641D+02
      5   0.812734D+00  0.831189D+00 -0.537271D+01  0.177579D+01  0.291948D+01
      6   0.648971D+00 -0.348068D-01  0.519790D+01  0.325241D+01  0.971441D+00
                21            22            23            24            25 
      1  -0.188786D+01  0.804138D+00 -0.108450D+02 -0.162028D+01  0.412684D+00
      2  -0.192841D+01  0.288575D+01  0.186139D+02 -0.154206D+01 -0.352004D+00
      3   0.381627D+01 -0.368989D+01 -0.776893D+01  0.316234D+01 -0.606802D-01
      4   0.329924D+01  0.134406D+02  0.185971D+02  0.162601D+01  0.272419D+01
      5   0.829434D+01  0.376647D+01  0.985562D+00  0.981102D+00  0.545732D+01
      6   0.532182D+00 -0.128854D+01  0.319631D+01  0.115818D+02  0.255245D+01
                26            27            28            29            30 
      1  -0.171046D+01 -0.692255D+01  0.867020D+00 -0.283471D+01  0.138099D+01
      2  -0.640075D-01 -0.402174D+00 -0.333315D+00  0.154638D+01 -0.382194D+00
      3   0.177447D+01  0.732473D+01 -0.533705D+00  0.128833D+01 -0.998793D+00
      4   0.347650D+01  0.517680D+01 -0.224537D+01  0.362505D+01 -0.136540D+01
      5   0.475928D+01  0.471981D+01 -0.337725D+00 -0.825042D+00  0.364930D+01
      6   0.959518D+01  0.589789D+01 -0.200952D+01 -0.117508D+01  0.235803D+00
                31            32            33            34            35 
      1  -0.194100D+01 -0.848009D+01  0.666111D+01  0.539793D+00  0.823690D+01
      2   0.824036D+00  0.101042D+02 -0.560413D+01 -0.678179D+00 -0.601922D+01
      3   0.111697D+01 -0.162410D+01 -0.105698D+01  0.138386D+00 -0.221769D+01
      4   0.516744D+01 -0.631326D+01  0.474829D+01 -0.317689D+01  0.564688D+01
      5  -0.244575D+01  0.568323D+01 -0.627969D+01  0.528366D+01 -0.671069D+01
      6   0.129499D+01 -0.115601D+02  0.110746D+02 -0.229191D+01  0.125673D+02
                36            37            38            39            40 
      1  -0.102410D+02  0.257901D+02 -0.514523D+01 -0.808360D+01 -0.461112D+01
      2   0.424174D+00 -0.126155D+02  0.345968D+00  0.514500D+01 -0.184430D+00
      3   0.981684D+01 -0.131746D+02  0.479926D+01  0.293859D+01  0.479555D+01
      4  -0.548076D+01 -0.156648D+02  0.107339D+02  0.607413D+01  0.103438D+02
      5   0.113194D+02 -0.146267D+02  0.483150D+01  0.111754D+02  0.315708D+01
      6  -0.153319D+02  0.668900D+01 -0.348074D+01 -0.524603D+01 -0.345698D+01
                41            42            43            44            45 
      1   0.303996D+01  0.105376D+01 -0.112057D+02  0.271714D+01  0.348742D+01
      2   0.891466D+00  0.447019D+00  0.736010D+01 -0.899399D+00 -0.541405D+01
      3  -0.393143D+01 -0.150077D+01  0.384563D+01 -0.181774D+01  0.192663D+01
      4  -0.696939D+01 -0.388791D+01  0.806935D+01 -0.520364D+01 -0.657659D+01
      5  -0.345670D+01 -0.361008D+01  0.134135D+02 -0.583773D+01 -0.116961D+02
      6   0.266296D+01  0.483710D+01 -0.573570D+01  0.553416D+01  0.521856D+01
                46            47            48            49            50 
      1   0.158437D+00 -0.223255D+00  0.335008D+00 -0.195223D+00 -0.434015D+01
      2  -0.317295D+01  0.392228D-01 -0.118675D+00  0.368379D+00  0.502075D+00
      3   0.301451D+01  0.184032D+00 -0.216334D+00 -0.173156D+00  0.383808D+01
      4  -0.272532D+00  0.236781D+01 -0.860348D+00  0.162871D+01 -0.444712D+00
      5   0.777349D+00 -0.109427D+01  0.814713D+01 -0.124520D+01  0.110473D+01
      6  -0.104285D+01  0.867117D-03  0.121770D+00 -0.944459D-01 -0.310431D+01
                51            52            53            54            55 
      1   0.420527D+01 -0.595237D+00  0.386905D+01 -0.243167D+02  0.200018D+01
      2   0.549704D+00 -0.115153D+01  0.401640D+00 -0.141536D+02 -0.483703D+01
      3  -0.475498D+01  0.174677D+01 -0.427069D+01  0.384703D+02  0.283684D+01
      4   0.675894D+00 -0.425739D+00  0.178277D+00 -0.617910D+00  0.304650D+01
      5  -0.848167D+00  0.560945D+01 -0.698711D+00  0.388459D+01 -0.108144D+02
      6   0.741072D+01 -0.791506D+00  0.667037D+01 -0.642344D+01 -0.272768D+01
                56            57            58            59            60 
      1   0.249288D+01 -0.821677D+01  0.213518D+01 -0.153812D+02 -0.405917D+01
      2  -0.266176D-01  0.317765D+01  0.119101D+00  0.223053D+01  0.277627D+00
      3  -0.246626D+01  0.503912D+01 -0.225428D+01  0.131507D+02  0.378155D+01
      4  -0.192358D+02 -0.479421D+01 -0.260586D+02  0.547202D+01 -0.798163D+01
      5  -0.437523D+01  0.136751D+01 -0.607137D+01 -0.745070D+01 -0.782638D+01
      6  -0.121108D+01 -0.567885D+00 -0.198987D+01 -0.326420D+01 -0.211844D+01
                61            62            63            64            65 
      1  -0.976027D+01 -0.432097D+01  0.712151D+01  0.112471D+00  0.434419D+00
      2   0.240948D+01 -0.613883D+00  0.192515D+01 -0.170896D+01 -0.461746D+00
      3   0.735079D+01  0.493485D+01 -0.904665D+01  0.159649D+01  0.273277D-01
      4  -0.616710D+01 -0.828293D+01 -0.774034D+01  0.181414D+00  0.300575D+01
      5  -0.103528D+01 -0.733879D+01  0.142882D+02 -0.137194D+01 -0.326586D+00
      6  -0.169301D+01 -0.145392D+01  0.217273D+01 -0.773848D+00  0.617416D+00
                66            67            68            69            70 
      1  -0.312067D+01  0.885948D+00 -0.794913D+00  0.239721D+01 -0.436112D+01
      2   0.149152D+01 -0.784719D+00  0.784437D+00 -0.138628D+00  0.404014D+01
      3   0.162915D+01 -0.101228D+00  0.104752D-01 -0.225858D+01  0.320980D+00
      4  -0.562876D+00  0.462794D+01  0.128387D+01 -0.249354D+01 -0.113314D+01
      5   0.482102D+01 -0.677825D+00 -0.224776D+01  0.426155D+01  0.741358D+01
      6   0.334861D+00 -0.284652D+00 -0.204107D+01  0.577900D+01  0.954733D+00
                71            72            73            74            75 
      1   0.253962D+01 -0.124020D+02  0.198144D+02 -0.105354D+02  0.147051D+01
      2  -0.248966D+00 -0.965031D+01 -0.665027D+01  0.290464D+01 -0.514712D+00
      3  -0.229065D+01  0.220523D+02 -0.131641D+02  0.763073D+01 -0.955801D+00
      4  -0.412843D+01  0.445534D+01 -0.147468D+02  0.168095D+02 -0.222303D+00
      5   0.387172D+01 -0.239939D+02  0.113227D+01  0.145338D-02  0.476783D+01
      6   0.551557D+01 -0.555847D+01  0.407627D+00 -0.378546D+00 -0.104595D+01
                76            77            78            79            80 
      1  -0.136156D+02  0.639546D+01 -0.137949D+00  0.270485D+01  0.410619D+00
      2   0.249134D+01  0.662381D+01 -0.251092D+00 -0.851982D+00 -0.391292D+00
      3   0.111242D+02 -0.130193D+02  0.389041D+00 -0.185287D+01 -0.193276D-01
      4   0.210260D+02 -0.251116D+02  0.206520D+01 -0.405163D+00  0.264061D+01
      5   0.556710D+00  0.170313D+01 -0.504398D+01  0.576732D+01 -0.396814D+01
      6  -0.580319D+00  0.103554D+01  0.385744D+01 -0.195431D+01  0.411090D+01
                81            82            83            84            85 
      1   0.636584D+00  0.185539D+02  0.815381D+01  0.538571D+01  0.107811D+02
      2  -0.957714D+00 -0.655547D+01 -0.166948D+01 -0.222595D+01 -0.160236D+01
      3   0.321130D+00 -0.119984D+02 -0.648433D+01 -0.315976D+01 -0.917875D+01
      4  -0.335794D+01  0.141746D+02  0.150045D+02  0.481828D+01  0.191611D+02
      5  -0.274926D+00  0.698294D+01  0.411691D+01  0.668751D+01  0.544668D+01
      6  -0.121524D+01  0.250852D+01  0.102609D+01  0.147420D+01  0.233677D+01
                86            87            88            89            90 
      1   0.466331D+01  0.167800D+01  0.754407D+01  0.119532D+01  0.832610D+00
      2   0.638151D+01  0.822011D+00 -0.360857D+01  0.785180D+00 -0.236514D+01
      3  -0.110448D+02 -0.250001D+01 -0.393550D+01 -0.198050D+01  0.153253D+01
      4   0.194884D+02  0.723007D+01  0.671504D+01  0.798129D+01  0.682363D+01
      5   0.645597D+01  0.794259D+01  0.818203D+01  0.664512D+01  0.719756D+01
      6   0.425202D+01  0.459578D+01  0.294222D+01  0.463014D+01  0.410570D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.337217D+00      0.857120D+00      0.285904D+01
   y          0.651403D+00      0.165570D+01      0.552283D+01
   z          0.266668D+00      0.677803D+00      0.226091D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.448764D+02      0.664999D+01      0.739912D+01
   yx        -0.293313D+01     -0.434645D+00     -0.483607D+00
   yy         0.357864D+02      0.530300D+01      0.590038D+01
   zx         0.962235D+00      0.142589D+00      0.158651D+00
   zy        -0.123787D+01     -0.183434D+00     -0.204098D+00
   zz         0.361063D+02      0.535040D+01      0.595312D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.419691D+02      0.621918D+01      0.691977D+01
   aniso      0.978566D+01      0.145009D+01      0.161344D+01
   xx         0.476632D+02      0.706295D+01      0.785860D+01
   yx        -0.252040D+01     -0.373485D+00     -0.415558D+00
   yy         0.392316D+02      0.581353D+01      0.646842D+01
   zx         0.872901D+00      0.129351D+00      0.143922D+00
   zy        -0.690495D+00     -0.102321D+00     -0.113847D+00
   zz         0.390126D+02      0.578107D+01      0.643231D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.95195356          1.18247855          0.08505260
     6         -0.13116355         -0.87721094          0.38118758
     8         -0.74953804          0.08328687         -2.07320661
     1         -1.37075432          3.10238706          0.52204999
     1         -3.96335442          0.81158928          0.25066262
     1         -0.88989594         -2.75655362          0.73067889
     6          2.52045704         -0.44129423          1.28748780
     1          3.12084466          1.48662089          0.87574127
     1          3.82761779         -1.74058113          0.35971124
     1          2.64779815         -0.75360554          3.32444940

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.780483D+00      0.198379D+01      0.661721D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.429366D+02      0.636254D+01      0.707928D+01
   yx        -0.401395D+01     -0.594805D+00     -0.661810D+00
   yy         0.388492D+02      0.575685D+01      0.640536D+01
   zx         0.223041D+01      0.330513D+00      0.367746D+00
   zy        -0.874592D+00     -0.129601D+00     -0.144201D+00
   zz         0.349833D+02      0.518399D+01      0.576797D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.419691D+02      0.621918D+01      0.691977D+01
   aniso      0.978566D+01      0.145009D+01      0.161344D+01
   xx         0.457958D+02      0.678624D+01      0.755071D+01
   yx        -0.379239D+01     -0.561974D+00     -0.625280D+00
   yy         0.412854D+02      0.611786D+01      0.680704D+01
   zx         0.205642D+01      0.304730D+00      0.339058D+00
   zy        -0.902258D+00     -0.133701D+00     -0.148762D+00
   zz         0.388262D+02      0.575345D+01      0.640158D+01

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-28\Freq\RM11\Gen\C3H6O1\PIERPA\10-Jul-2021\0\\#P M11/
 Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Rea
 d Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.037946,0.61605,-
 0.060586\C,0.152167,-0.036181,0.486338\O,-0.827309,-0.787855,-0.240257
 \H,-0.946334,1.214879,-0.962405\H,-1.863621,0.880906,0.593045\H,0.1537
 31,-0.252078,1.553032\C,1.505323,0.09787,-0.148585\H,1.410483,0.321151
 ,-1.211784\H,2.07347,-0.828389,-0.041354\H,2.073478,0.89994,0.328527\\
 Version=ES64L-G16RevA.03\State=1-A\HF=-193.1992622\RMSD=3.787e-09\RMSF
 =1.730e-06\ZeroPoint=0.0852529\Thermal=0.0896657\Dipole=0.3372168,0.65
 14034,0.2666682\DipoleDeriv=0.1605202,0.0245233,-0.0695483,-0.0629694,
 0.3790576,-0.0200913,-0.0832538,0.0336169,0.2712301,0.5178465,0.060370
 8,0.0087775,0.1439839,0.2567625,0.0489922,0.0017336,-0.0037711,0.34796
 26,-0.5293817,-0.1496531,-0.0494179,-0.1843979,-0.747179,-0.1678671,-0
 .0706532,-0.1616113,-0.4116781,0.0406906,0.0091335,0.0523518,0.0352834
 ,-0.0301997,0.0626262,0.0116645,0.1080517,-0.06241,-0.0725338,0.087123
 7,0.0790569,0.0468565,0.0150047,0.0046556,0.091977,-0.0259962,-0.00916
 99,-0.0400982,-0.0121209,0.0098382,-0.0032776,0.0608217,0.0586128,-0.0
 164757,0.0213647,-0.1546194,-0.0521732,-0.037182,0.0469586,0.009629,0.
 117439,0.0243943,0.0663356,0.0330147,0.0246264,0.0329013,0.0115385,-0.
 0514805,0.0018087,0.0609227,0.0406415,0.0173847,0.0426531,-0.1039942,-
 0.0353826,0.0595613,-0.0022233,0.111153,-0.0767093,0.0163153,0.0187698
 ,0.0304566,0.0714809,-0.022389,-0.0532952,-0.0243132,-0.0980693,-0.035
 9204,-0.0682795,-0.0374823,-0.0777792,0.0265716\Polar=44.8763894,-2.93
 31277,35.786392,0.962235,-1.2378741,36.106271\Quadrupole=0.4102392,-0.
 9813373,0.5710981,-1.7042554,-0.2850977,-0.8230434\PG=C01 [X(C3H6O1)]\
 NImag=0\\0.52256657,-0.15712551,0.43949449,-0.10817295,-0.13550524,0.5
 4939787,-0.20528895,0.12483132,-0.06072341,0.59273313,0.07657270,-0.04
 980087,0.05164378,-0.03829142,0.27922062,-0.06967861,0.07722328,-0.086
 23066,0.03366458,-0.08952617,0.62028351,-0.03241953,-0.00100829,0.0168
 7295,-0.11385289,-0.04836054,-0.04120450,0.17167086,0.03883668,-0.2177
 9402,-0.01213547,-0.08666478,-0.08440572,-0.05799370,0.04883252,0.3403
 3278,0.02588986,-0.03305414,-0.05466206,-0.05365101,-0.03782194,-0.105
 29270,0.05435350,0.08315230,0.14569315,-0.05350782,-0.00938752,0.02937
 558,0.00434096,0.01472955,-0.02362213,-0.00031406,-0.00140659,0.002445
 05,0.04937735,-0.01246539,-0.11284546,0.11814125,0.00012796,-0.0049818
 9,-0.00502454,0.00566348,-0.02750273,0.02569875,0.00633000,0.13692691,
 0.02750793,0.12355697,-0.24962629,0.00460161,0.00600940,-0.01215561,-0
 .00382412,-0.00485119,0.01584420,-0.02743786,-0.13391945,0.25491375,-0
 .20907584,0.04539042,0.13154311,-0.01356758,0.00288948,0.01856010,0.00
 657210,0.00523700,-0.00772865,0.00027919,0.00049581,-0.00081463,0.2165
 2762,0.03881316,-0.05410254,-0.02752558,-0.00126420,-0.00746937,0.0017
 5703,0.03078062,-0.01659026,-0.01743537,-0.01184151,0.00712167,0.00869
 025,-0.05647529,0.06904961,0.13115169,-0.02679488,-0.15618348,-0.01333
 861,0.00200689,0.01204921,0.00510287,-0.00668230,-0.00073921,0.0186465
 3,-0.00506683,-0.01138660,-0.14033517,0.03505825,0.15629434,-0.0027372
 5,0.00135840,-0.01971455,-0.05029862,-0.00204812,0.01238931,-0.0067551
 7,0.00288887,-0.02075639,-0.00158989,-0.00098482,-0.00074704,0.0009294
 2,0.00088646,0.00041079,0.06225713,-0.00415486,-0.00680000,0.02360401,
 0.00263555,-0.05778380,0.06435531,-0.00519627,0.00587008,-0.03106660,0
 .00309743,0.00123473,0.00172391,-0.00082683,0.00034806,-0.00135112,0.0
 0373646,0.05422535,-0.00074528,-0.00278877,-0.00323732,0.01182353,0.06
 039837,-0.30186477,-0.01245025,-0.00177007,-0.01328308,0.00045016,-0.0
 0017881,0.00086970,-0.00047105,-0.00010820,0.00004943,-0.00112509,-0.0
 5950218,0.32644455,-0.01881370,-0.00409320,0.00521320,-0.18188504,-0.0
 0503361,0.05820504,-0.02368598,-0.00561593,-0.00136371,0.00150210,0.00
 020197,0.00111314,-0.00057877,-0.00067925,-0.00050780,0.00169861,0.001
 66711,-0.00047335,0.50011895,0.02272945,-0.00017965,-0.01718667,0.0017
 1299,-0.07431074,0.00869755,-0.03421287,-0.00209315,0.00893042,-0.0013
 4591,0.00015961,-0.00099102,0.00364351,0.00144052,0.00290643,-0.005729
 41,0.00167721,0.00395190,-0.00766714,0.55460486,-0.00497664,-0.0026515
 9,0.00172865,0.06470568,0.00805986,-0.11806980,-0.02065879,-0.00231672
 ,0.00884985,-0.00097182,0.00092294,0.00068853,-0.00099554,0.00009062,-
 0.00075993,0.02857661,0.00254975,-0.00970476,0.03296861,0.00026855,0.5
 6374732,0.00164073,0.00031183,0.00168179,0.00098536,-0.00636406,0.0331
 7689,0.00294810,-0.00000443,-0.00176061,-0.00023607,0.00032497,-0.0005
 0424,0.00016513,0.00014541,-0.00017160,-0.00533181,-0.00066520,0.00203
 307,-0.05003875,0.00593927,-0.02780299,0.05367812,0.00013442,0.0011367
 1,-0.00085146,-0.00043462,-0.00201197,0.00262741,0.00059775,-0.0005808
 6,0.00025287,0.00003816,-0.00015962,-0.00014820,0.00003385,-0.00006263
 ,0.00006454,-0.00044072,0.00090073,0.00008974,0.00587850,-0.05779230,0
 .05317056,-0.00668060,0.05769190,-0.00103326,-0.00013498,0.00027942,-0
 .00165294,0.00243364,-0.01726505,-0.00047182,0.00022394,0.00247839,0.0
 0074926,-0.00014763,0.00060205,-0.00014846,-0.00030631,0.00022099,0.00
 261602,0.00013823,0.00055483,-0.02377984,0.05338728,-0.29725704,0.0250
 9538,-0.05886349,0.32399028,-0.00344474,0.00057226,0.00529160,-0.02022
 835,0.02784088,-0.00469240,0.00332653,-0.00170325,-0.00095570,0.000411
 76,0.00002748,0.00019424,-0.00124519,-0.00058072,-0.00107130,0.0009020
 4,-0.00068646,0.00008634,-0.11344741,0.11298233,-0.01383773,-0.0019044
 1,0.00198673,-0.00043969,0.12603174,-0.00234901,0.00075375,-0.00037450
 ,-0.00227063,0.00394280,-0.00096677,0.00211847,0.00129630,0.00050758,-
 0.00016432,-0.00001267,-0.00009827,-0.00022017,0.00015811,-0.00005180,
 0.00055270,0.00021628,-0.00051359,0.11413503,-0.23682743,0.02394835,0.
 00207073,-0.00500511,0.00055854,-0.12578492,0.25546170,0.00094432,0.00
 039962,-0.00172869,0.00885914,-0.01438112,0.00183683,-0.00123467,0.001
 26764,0.00059538,0.00032304,-0.00016972,0.00026088,0.00037856,-0.00015
 599,0.00053902,-0.00066112,-0.00019413,0.00026392,-0.01355226,0.024216
 97,-0.05107430,-0.01599707,0.02731116,-0.00187242,0.01282452,-0.026004
 45,0.05021466,0.00108053,-0.00084972,-0.00136733,-0.01293802,-0.021934
 86,-0.01679829,-0.00748996,-0.00040008,0.00352766,-0.00026354,0.000278
 54,-0.00008902,-0.00000607,0.00021532,0.00011260,0.00092553,0.00039307
 ,0.00087191,-0.11487000,-0.09805221,-0.05700737,-0.00190639,-0.0011134
 8,-0.00093463,0.00959803,0.01191211,0.00811556,0.12586989,-0.00099163,
 0.00013759,0.00018989,-0.00038218,-0.00239906,-0.00114940,0.00078513,0
 .00146759,0.00083613,-0.00004929,0.00005945,0.00002760,-0.00016778,0.0
 0010684,-0.00008919,-0.00021981,0.00011134,0.00042162,-0.09879349,-0.1
 8667893,-0.08404233,0.00492208,0.00588316,0.00271078,-0.01465432,-0.01
 998373,-0.01228998,0.10955129,0.20129574,-0.00088706,-0.00025026,0.000
 26256,0.00571143,0.01117729,0.00670902,0.00351484,0.00110557,0.0005160
 8,0.00004220,-0.00025596,-0.00001061,0.00001174,-0.00006470,-0.0000837
 7,-0.00098853,-0.00025717,-0.00009251,-0.05782302,-0.08418141,-0.09814
 851,-0.01575062,-0.02365313,-0.01173145,0.00260013,0.00299490,0.000964
 72,0.06356890,0.09338487,0.10161447\\-0.00000175,0.00000054,-0.0000001
 0,0.00000210,0.00000146,-0.00000347,0.00000035,0.00000043,-0.00000090,
 -0.00000325,-0.00000059,0.00000376,0.00000130,-0.00000021,-0.00000112,
 -0.00000005,-0.00000007,-0.00000047,-0.00000288,0.00000147,0.00000302,
 0.00000300,-0.00000118,-0.00000158,-0.00000040,-0.00000024,0.00000088,
 0.00000158,-0.00000162,-0.00000002\\\@


 My opinions may have changed, but not the fact that I am right.
                       -- Ashleigh Brilliant
 Job cpu time:       0 days  0 hours 17 minutes 26.1 seconds.
 Elapsed time:       0 days  0 hours  2 minutes 12.4 seconds.
 File lengths (MBytes):  RWF=    102 Int=      0 D2E=      0 Chk=      4 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 10 01:39:47 2021.
